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(3S)-3-methylpentanoic acid
SpectraBase Compound ID InQ4ssBd5Lp
InChI InChI=1S/C6H12O2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)/t5-/m0/s1
InChIKey IGIDLTISMCAULB-YFKPBYRVSA-N
Mol Weight 116.16 g/mol
Molecular Formula C6H12O2
Exact Mass 116.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EVLzMFVjTYq
Name (3S)-3-methylpentanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 116.083729624 u
Formula C6H12O2
InChI InChI=1S/C6H12O2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)/t5-/m0/s1
InChIKey IGIDLTISMCAULB-YFKPBYRVSA-N
Instrument Name ThermoFischer Scientific DSQII quadripolar-TraceUltra GC
Ionization Type EI
Literature Reference DOI 10.1002/chem.201501294
Molecular Weight 116.160 g/mol
Quality 306
SMILES OC(C[C@@](C)(CC)[H])=O
SPLASH splash10-0292-9400000000-7171b64550c9cf89c53c
Source of Spectrum QE-21-SM16-16-1 (DOI: 10.1002/chem.201501294)
Wiley ID 1909140