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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H16O
Molecular Weight 152.2334
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHELLANDRAL, (S)-

SMILES

CC(C)[C@H]1CCC(C=O)=CC1

InChI

InChIKey=AEVLWICMAHGAMS-SNVBAGLBSA-N
InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7-8,10H,4-6H2,1-2H3/t10-/m1/s1

HIDE SMILES / InChI

Molecular Formula C10H16O
Molecular Weight 152.2334
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 Tue Apr 01 16:29:44 GMT 2025
Edited
by admin
on Tue Apr 01 16:29:44 GMT 2025
Record UNII
SY7FR6623K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(-)-PHELLANDRAL
Preferred Name English
PHELLANDRAL, (S)-
Common Name English
1-CYCLOHEXENE-1-CARBOXALDEHYDE, 4-(1-METHYLETHYL)-, (4S)-
Systematic Name English
L-PHELLANDRAL
Common Name English
(S)-(-)-PHELLANDRAL
Common Name English
Code System Code Type Description
FDA UNII
SY7FR6623K
Created by admin on Tue Apr 01 16:29:44 GMT 2025 , Edited by admin on Tue Apr 01 16:29:44 GMT 2025
PRIMARY
CAS
23963-70-4
Created by admin on Tue Apr 01 16:29:44 GMT 2025 , Edited by admin on Tue Apr 01 16:29:44 GMT 2025
PRIMARY
PUBCHEM
11842593
Created by admin on Tue Apr 01 16:29:44 GMT 2025 , Edited by admin on Tue Apr 01 16:29:44 GMT 2025
PRIMARY