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Details

Stereochemistry ABSOLUTE
Molecular Formula C11H14O
Molecular Weight 162.2283
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-PHENYLPENTANAL, (S)-

SMILES

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

InChI

InChIKey=QEQARNLLMXCKIR-JTQLQIEISA-N
InChI=1S/C11H14O/c1-10(6-5-9-12)11-7-3-2-4-8-11/h2-4,7-10H,5-6H2,1H3/t10-/m0/s1

HIDE SMILES / InChI

Molecular Formula C11H14O
Molecular Weight 162.2283
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 11:02:28 GMT 2023
Edited
by admin
on Sat Dec 16 11:02:28 GMT 2023
Record UNII
JNE7RI4NH8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-PHENYLPENTANAL, (S)-
Systematic Name English
BENZENEBUTANAL, .GAMMA.-METHYL-, (S)-
Systematic Name English
4-PHENYLPENTANAL, (S)-(+)-
Systematic Name English
(S)-(+)-4-PHENYLPENTANAL
Systematic Name English
Code System Code Type Description
CAS
172756-68-2
Created by admin on Sat Dec 16 11:02:28 GMT 2023 , Edited by admin on Sat Dec 16 11:02:28 GMT 2023
PRIMARY
PUBCHEM
87443663
Created by admin on Sat Dec 16 11:02:28 GMT 2023 , Edited by admin on Sat Dec 16 11:02:28 GMT 2023
PRIMARY
FDA UNII
JNE7RI4NH8
Created by admin on Sat Dec 16 11:02:28 GMT 2023 , Edited by admin on Sat Dec 16 11:02:28 GMT 2023
PRIMARY