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(2S)-2-(1'-hydroxy-1'-methylethyl)pentanoic acid
SpectraBase Compound ID 7jRsLNeGmBZ
InChI InChI=1S/C8H16O3/c1-4-5-6(7(9)10)8(2,3)11/h6,11H,4-5H2,1-3H3,(H,9,10)/t6-/m1/s1
InChIKey TWMRRGYHUVWVEX-ZCFIWIBFSA-N
Mol Weight 160.21 g/mol
Molecular Formula C8H16O3
Exact Mass 160.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EObYwiDejmr
Name (2S)-2-(1'-hydroxy-1'-methylethyl)pentanoic acid
CAS Registry Number 128973-64-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H16O3
InChI InChI=1S/C8H16O3/c1-4-5-6(7(9)10)8(2,3)11/h6,11H,4-5H2,1-3H3,(H,9,10)/t6-/m1/s1
InChIKey TWMRRGYHUVWVEX-ZCFIWIBFSA-N
Molecular Weight 160.213 g/mol
SMILES OC([C@](C(O)(C)C)(CCC)[H])=O
SPLASH splash10-0a4l-9300000000-55095ff49fc02535a28f
Source of Spectrum K-123-2437-17
Synonyms (2S)-2-(1-hydroxy-1-methylethyl)pentanoic acid
Wiley ID 1156791