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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H20O
Molecular Weight 204.308
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUTYLPHENYL METHYLPROPIONAL, (S)-

SMILES

C[C@@H](CC1=CC=C(C=C1)C(C)(C)C)C=O

InChI

InChIKey=SDQFDHOLCGWZPU-NSHDSACASA-N
InChI=1S/C14H20O/c1-11(10-15)9-12-5-7-13(8-6-12)14(2,3)4/h5-8,10-11H,9H2,1-4H3/t11-/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H20O
Molecular Weight 204.308
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 05:14:33 GMT 2023
Edited
by admin
on Sat Dec 16 05:14:33 GMT 2023
Record UNII
WP1PPC4R9G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUTYLPHENYL METHYLPROPIONAL, (+)-
Preferred Name English
BUTYLPHENYL METHYLPROPIONAL, (S)-
Common Name English
(+)-2-METHYL-3-(4-TERT-BUTYLPHENYL)PROPANAL
Systematic Name English
BENZENEPROPANAL, 4-(1,1-DIMETHYLETHYL)-.ALPHA.-METHYL-, (S)-
Systematic Name English
BENZENEPROPANAL, 4-(1,1-DIMETHYLETHYL)-.ALPHA.-METHYL-, (.ALPHA.S)-
Common Name English
(S)-2-METHYL-3-(4-TERT-BUTYLPHENYL)PROPANAL
Systematic Name English
Code System Code Type Description
PUBCHEM
1715213
Created by admin on Sat Dec 16 05:14:33 GMT 2023 , Edited by admin on Sat Dec 16 05:14:33 GMT 2023
PRIMARY
DAILYMED
WP1PPC4R9G
Created by admin on Sat Dec 16 05:14:33 GMT 2023 , Edited by admin on Sat Dec 16 05:14:33 GMT 2023
PRIMARY
FDA UNII
WP1PPC4R9G
Created by admin on Sat Dec 16 05:14:33 GMT 2023 , Edited by admin on Sat Dec 16 05:14:33 GMT 2023
PRIMARY
EPA CompTox
DTXSID70226154
Created by admin on Sat Dec 16 05:14:33 GMT 2023 , Edited by admin on Sat Dec 16 05:14:33 GMT 2023
PRIMARY
RXCUI
1664338
Created by admin on Sat Dec 16 05:14:33 GMT 2023 , Edited by admin on Sat Dec 16 05:14:33 GMT 2023
PRIMARY RxNorm
CAS
75166-30-2
Created by admin on Sat Dec 16 05:14:33 GMT 2023 , Edited by admin on Sat Dec 16 05:14:33 GMT 2023
PRIMARY