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Details

Stereochemistry RACEMIC
Molecular Formula C12H14O2
Molecular Weight 190.2384
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Isobutylisobenzofuran-1(3H)-one

SMILES

CC(C)CC1OC(=O)C2=C1C=CC=C2

InChI

InChIKey=PBYDISOWXMCXIU-UHFFFAOYSA-N
InChI=1S/C12H14O2/c1-8(2)7-11-9-5-3-4-6-10(9)12(13)14-11/h3-6,8,11H,7H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C12H14O2
Molecular Weight 190.2384
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:17:22 GMT 2025
Edited
by admin
on Wed Apr 02 17:17:22 GMT 2025
Record UNII
EWH85WL2RE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1(3H)-Isobenzofuranone, 3-(2-methylpropyl)
Preferred Name English
3-Isobutylisobenzofuran-1(3H)-one
Systematic Name English
3-Isobutylphthalide
Systematic Name English
3-(2-Methylpropyl)-1(3H)-isobenzofuranone
Systematic Name English
Code System Code Type Description
FDA UNII
EWH85WL2RE
Created by admin on Wed Apr 02 17:17:22 GMT 2025 , Edited by admin on Wed Apr 02 17:17:22 GMT 2025
PRIMARY
PUBCHEM
54857178
Created by admin on Wed Apr 02 17:17:22 GMT 2025 , Edited by admin on Wed Apr 02 17:17:22 GMT 2025
PRIMARY
CAS
199736-94-2
Created by admin on Wed Apr 02 17:17:22 GMT 2025 , Edited by admin on Wed Apr 02 17:17:22 GMT 2025
PRIMARY