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Pentanoic acid, 3,4-dimethyl-5-oxo-, methyl ester, [S-(R*,R*)]-
SpectraBase Compound ID 8DQxM1fzGLX
InChI InChI=1S/C8H14O3/c1-6(7(2)5-9)4-8(10)11-3/h5-7H,4H2,1-3H3/t6-,7+/m0/s1
InChIKey RFRRHUQWYBMCHT-NKWVEPMBSA-N
Mol Weight 158.2 g/mol
Molecular Formula C8H14O3
Exact Mass 158.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3WXDGjA6NBI
Name Pentanoic acid, 3,4-dimethyl-5-oxo-, methyl ester, [S-(R*,R*)]-
CAS Registry Number 105705-01-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O3
InChI InChI=1S/C8H14O3/c1-6(7(2)5-9)4-8(10)11-3/h5-7H,4H2,1-3H3/t6-,7+/m0/s1
InChIKey RFRRHUQWYBMCHT-NKWVEPMBSA-N
Molecular Weight 158.197 g/mol
SMILES C(C[C@@]([C@@](C=O)(C)[H])(C)[H])(=O)OC
SPLASH splash10-05fu-9200000000-4c4a8993b4b4aaab8b4b
Source of Spectrum F-42-2238-0
Synonyms (3S,4S)-methyl-3,4-dimethyl-5-oxopentanoate Methyl (3S,4S)-3,4-dimethyl-5-oxopentanoate
Wiley ID 1155227