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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H26O2
Molecular Weight 226.355
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CITRONELLYL ISOBUTYRATE, (S)-

SMILES

C[C@H](CCOC(=O)C(C)C)CCC=C(C)C

InChI

InChIKey=ZGPPERKMXSGYRK-ZDUSSCGKSA-N
InChI=1S/C14H26O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,12-13H,6,8-10H2,1-5H3/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H26O2
Molecular Weight 226.355
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 04:37:19 GMT 2023
Edited
by admin
on Sat Dec 16 04:37:19 GMT 2023
Record UNII
1Q3N9HR255
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CITRONELLYL ISOBUTYRATE, (S)-
Systematic Name English
PROPANOIC ACID, 2-METHYL-, 3,7-DIMETHYL-6-OCTENYL ESTER, (S)-
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
301-850-8
Created by admin on Sat Dec 16 04:37:19 GMT 2023 , Edited by admin on Sat Dec 16 04:37:19 GMT 2023
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FDA UNII
1Q3N9HR255
Created by admin on Sat Dec 16 04:37:19 GMT 2023 , Edited by admin on Sat Dec 16 04:37:19 GMT 2023
PRIMARY
CAS
94086-62-1
Created by admin on Sat Dec 16 04:37:19 GMT 2023 , Edited by admin on Sat Dec 16 04:37:19 GMT 2023
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PUBCHEM
37888402
Created by admin on Sat Dec 16 04:37:19 GMT 2023 , Edited by admin on Sat Dec 16 04:37:19 GMT 2023
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