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Details

Stereochemistry ABSOLUTE
Molecular Formula C8H14O3
Molecular Weight 158.195
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethyl α-acetylbutyrate, (S)-

SMILES

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

InChI

InChIKey=OKANYBNORCUPKZ-ZETCQYMHSA-N
InChI=1S/C8H14O3/c1-4-7(6(3)9)8(10)11-5-2/h7H,4-5H2,1-3H3/t7-/m0/s1

HIDE SMILES / InChI

Molecular Formula C8H14O3
Molecular Weight 158.195
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 09:08:52 GMT 2023
Edited
by admin
on Sat Dec 16 09:08:52 GMT 2023
Record UNII
QA38U73JGE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ethyl α-acetylbutyrate, (S)-
Common Name English
Butanoic acid, 2-ethyl-3-oxo-, ethyl ester, (S)-
Systematic Name English
Code System Code Type Description
FDA UNII
QA38U73JGE
Created by admin on Sat Dec 16 09:08:52 GMT 2023 , Edited by admin on Sat Dec 16 09:08:52 GMT 2023
PRIMARY
PUBCHEM
6994176
Created by admin on Sat Dec 16 09:08:52 GMT 2023 , Edited by admin on Sat Dec 16 09:08:52 GMT 2023
PRIMARY
CAS
130606-81-4
Created by admin on Sat Dec 16 09:08:52 GMT 2023 , Edited by admin on Sat Dec 16 09:08:52 GMT 2023
PRIMARY
Related Record Type Details
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