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Details

Stereochemistry ABSOLUTE
Molecular Formula C9H18O2
Molecular Weight 158.238
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOBUTYL 2-METHYLBUTYRATE, (S)-

SMILES

CC[C@H](C)C(=O)OCC(C)C

InChI

InChIKey=NWZQCEQAPBRMFX-QMMMGPOBSA-N
InChI=1S/C9H18O2/c1-5-8(4)9(10)11-6-7(2)3/h7-8H,5-6H2,1-4H3/t8-/m0/s1

HIDE SMILES / InChI

Molecular Formula C9H18O2
Molecular Weight 158.238
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 09:36:10 GMT 2023
Edited
by admin
on Sat Dec 16 09:36:10 GMT 2023
Record UNII
O31X52FRTV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOBUTYL 2-METHYLBUTYRATE, (S)-
Systematic Name English
BUTANOIC ACID, 2-METHYL-, 2-METHYLPROPYL ESTER, (S)-
Systematic Name English
Code System Code Type Description
FDA UNII
O31X52FRTV
Created by admin on Sat Dec 16 09:36:11 GMT 2023 , Edited by admin on Sat Dec 16 09:36:11 GMT 2023
PRIMARY
CAS
151409-49-3
Created by admin on Sat Dec 16 09:36:11 GMT 2023 , Edited by admin on Sat Dec 16 09:36:11 GMT 2023
PRIMARY
PUBCHEM
54134917
Created by admin on Sat Dec 16 09:36:11 GMT 2023 , Edited by admin on Sat Dec 16 09:36:11 GMT 2023
PRIMARY
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