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(2R,4S)-5-keto-5-methoxy-2,4-dimethyl-valeric acid
SpectraBase Compound ID IX9NUaxJJlR
InChI InChI=1S/C8H14O4/c1-5(7(9)10)4-6(2)8(11)12-3/h5-6H,4H2,1-3H3,(H,9,10)/t5-,6+/m1/s1
InChIKey TXVYGBGEKZBRST-RITPCOANSA-N
Mol Weight 174.2 g/mol
Molecular Formula C8H14O4
Exact Mass 174.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BkGpaXltNbG
Name (2R,4S)-5-keto-5-methoxy-2,4-dimethyl-valeric acid
CAS Registry Number 85646-66-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O4
InChI InChI=1S/C8H14O4/c1-5(7(9)10)4-6(2)8(11)12-3/h5-6H,4H2,1-3H3,(H,9,10)/t5-,6+/m1/s1
InChIKey TXVYGBGEKZBRST-RITPCOANSA-N
Molecular Weight 174.196 g/mol
SMILES OC([C@@](C[C@@](C(=O)OC)(C)[H])(C)[H])=O
SPLASH splash10-0a4i-9600000000-1a3c144a84c20d2262c4
Source of Spectrum KC-1988-58-0
Synonyms (2R,4S)-5-methoxy-2,4-dimethyl-5-oxidanylidene-pentanoic acid (2R,4S)-5-methoxy-2,4-dimethyl-5-oxo-pentanoic acid
Wiley ID 1170347