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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H14O2
Molecular Weight 190.2388
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

CCCC[C@@]1([H])c2ccccc2C(=O)O1

InChI

InChIKey=HJXMNVQARNZTEE-NSHDSACASA-N
InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-7,11H,2-3,8H2,1H3/t11-/m0/s1

HIDE SMILES / InChI

Molecular Formula C12H14O2
Molecular Weight 190.2388
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 Jun 26 11:55:09 UTC 2021
Edited
by admin
on Sat Jun 26 11:55:09 UTC 2021
Record UNII
1XH7JED512
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUTYLPHTHALIDE, (S)-
Systematic Name English
1(3H)-ISOBENZOFURANONE, 3-BUTYL-, (3S)-
Systematic Name English
L-BUTYLPHTHALIDE
Common Name English
Code System Code Type Description
PUBCHEM
11116832
Created by admin on Sat Jun 26 11:55:10 UTC 2021 , Edited by admin on Sat Jun 26 11:55:10 UTC 2021
PRIMARY
FDA UNII
1XH7JED512
Created by admin on Sat Jun 26 11:55:10 UTC 2021 , Edited by admin on Sat Jun 26 11:55:10 UTC 2021
PRIMARY
CAS
3413-15-8
Created by admin on Sat Jun 26 11:55:10 UTC 2021 , Edited by admin on Sat Jun 26 11:55:10 UTC 2021
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER