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(3S)-3-acetoxy-4-ethoxy-4-keto-butyric acid
SpectraBase Compound ID 15EU2uBCK6c
InChI InChI=1S/C8H12O6/c1-3-13-8(12)6(4-7(10)11)14-5(2)9/h6H,3-4H2,1-2H3,(H,10,11)/t6-/m0/s1
InChIKey LEYRJIGDJYRCMY-LURJTMIESA-N
Mol Weight 204.18 g/mol
Molecular Formula C8H12O6
Exact Mass 204.063388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1XjZC5kjQH9
Name (3S)-3-acetoxy-4-ethoxy-4-keto-butyric acid
CAS Registry Number 52485-05-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O6
InChI InChI=1S/C8H12O6/c1-3-13-8(12)6(4-7(10)11)14-5(2)9/h6H,3-4H2,1-2H3,(H,10,11)/t6-/m0/s1
InChIKey LEYRJIGDJYRCMY-LURJTMIESA-N
Molecular Weight 204.178 g/mol
SMILES OC(C[C@@](C(=O)OCC)(OC(=O)C)[H])=O
SPLASH splash10-0006-9100000000-6d0a0168c0452e68484b
Source of Spectrum J-53-1042-4
Synonyms (3S)-3-acetoxy-4-ethoxy-4-oxo-butanoic acid (3S)-3-acetyloxy-4-ethoxy-4-oxidanylidene-butanoic acid
Wiley ID 1201287