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Details

Stereochemistry RACEMIC
Molecular Formula C19H28O4
Molecular Weight 320.4232
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(BENZOYLOXY)-2,2,4-TRIMETHYLPENTYL ISOBUTYRATE

SMILES

CC(C)C(OC(=O)C1=CC=CC=C1)C(C)(C)COC(=O)C(C)C

InChI

InChIKey=FFSJSGNXYKUSCQ-UHFFFAOYSA-N
InChI=1S/C19H28O4/c1-13(2)16(19(5,6)12-22-17(20)14(3)4)23-18(21)15-10-8-7-9-11-15/h7-11,13-14,16H,12H2,1-6H3

HIDE SMILES / InChI

Molecular Formula C19H28O4
Molecular Weight 320.4232
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:06:12 GMT 2023
Edited
by admin
on Sat Dec 16 09:06:12 GMT 2023
Record UNII
54X8O3GFQQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(BENZOYLOXY)-2,2,4-TRIMETHYLPENTYL ISOBUTYRATE
Systematic Name English
PROPANOIC ACID, 2-METHYL-, 3-(BENZOYLOXY)-2,2,4-TRIMETHYLPENTYL ESTER
Systematic Name English
ISOBUTYRIC ACID, 3-HYDROXY-2,2,4-TRIMETHYLPENTYL ESTER BENZOATE
Systematic Name English
Code System Code Type Description
CAS
22527-63-5
Created by admin on Sat Dec 16 09:06:12 GMT 2023 , Edited by admin on Sat Dec 16 09:06:12 GMT 2023
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ECHA (EC/EINECS)
245-054-8
Created by admin on Sat Dec 16 09:06:12 GMT 2023 , Edited by admin on Sat Dec 16 09:06:12 GMT 2023
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EPA CompTox
DTXSID3027821
Created by admin on Sat Dec 16 09:06:12 GMT 2023 , Edited by admin on Sat Dec 16 09:06:12 GMT 2023
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FDA UNII
54X8O3GFQQ
Created by admin on Sat Dec 16 09:06:12 GMT 2023 , Edited by admin on Sat Dec 16 09:06:12 GMT 2023
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PUBCHEM
90798
Created by admin on Sat Dec 16 09:06:12 GMT 2023 , Edited by admin on Sat Dec 16 09:06:12 GMT 2023
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