U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C14H24O2
Molecular Weight 224.3392
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TERPINYL ISOBUTYRATE, (-)-

SMILES

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

InChI

InChIKey=SMQUXKIIXFOJKI-LBPRGKRZSA-N
InChI=1S/C14H24O2/c1-10(2)13(15)16-14(4,5)12-8-6-11(3)7-9-12/h6,10,12H,7-9H2,1-5H3/t12-/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H24O2
Molecular Weight 224.3392
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 01:13:05 GMT 2023
Edited
by admin
on Sat Dec 16 01:13:05 GMT 2023
Record UNII
2Z121Y1AYC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TERPINYL ISOBUTYRATE, (-)-
Systematic Name English
P-MENTH-1-EN-8-YL-ISOBUTYRATE, (-)-
Systematic Name English
FEMA NO. 3050, (-)-
Code English
Code System Code Type Description
PUBCHEM
76956136
Created by admin on Sat Dec 16 01:13:05 GMT 2023 , Edited by admin on Sat Dec 16 01:13:05 GMT 2023
PRIMARY
FDA UNII
2Z121Y1AYC
Created by admin on Sat Dec 16 01:13:05 GMT 2023 , Edited by admin on Sat Dec 16 01:13:05 GMT 2023
PRIMARY