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Details

Stereochemistry ACHIRAL
Molecular Formula C13H18O2
Molecular Weight 206.2808
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-PHENYLPROPYL N-BUTYRATE

SMILES

CCCC(=O)OCCCC1=CC=CC=C1

InChI

InChIKey=IWBHCESPSIQPME-UHFFFAOYSA-N
InChI=1S/C13H18O2/c1-2-7-13(14)15-11-6-10-12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3

HIDE SMILES / InChI

Molecular Formula C13H18O2
Molecular Weight 206.2808
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 17:53:53 GMT 2023
Edited
by admin
on Fri Dec 15 17:53:53 GMT 2023
Record UNII
OB0R2J7JTU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-PHENYLPROPYL N-BUTYRATE
Systematic Name English
3-PHENYLPROPYL BUTYRATE
Systematic Name English
BUTYRIC ACID, 3-PHENYLPROPYL ESTER
Systematic Name English
PHENYLPROPYL BUTANOATE
Common Name English
BUTANOIC ACID, 3-PHENYLPROPYL ESTER
Systematic Name English
NSC-55132
Code English
Code System Code Type Description
EPA CompTox
DTXSID1064663
Created by admin on Fri Dec 15 17:53:53 GMT 2023 , Edited by admin on Fri Dec 15 17:53:53 GMT 2023
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NSC
55132
Created by admin on Fri Dec 15 17:53:53 GMT 2023 , Edited by admin on Fri Dec 15 17:53:53 GMT 2023
PRIMARY
CAS
7402-29-1
Created by admin on Fri Dec 15 17:53:53 GMT 2023 , Edited by admin on Fri Dec 15 17:53:53 GMT 2023
PRIMARY
FDA UNII
OB0R2J7JTU
Created by admin on Fri Dec 15 17:53:53 GMT 2023 , Edited by admin on Fri Dec 15 17:53:53 GMT 2023
PRIMARY
ECHA (EC/EINECS)
231-005-8
Created by admin on Fri Dec 15 17:53:53 GMT 2023 , Edited by admin on Fri Dec 15 17:53:53 GMT 2023
PRIMARY
PUBCHEM
81894
Created by admin on Fri Dec 15 17:53:53 GMT 2023 , Edited by admin on Fri Dec 15 17:53:53 GMT 2023
PRIMARY