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(2S)-2-Ethylheptanoic acid
SpectraBase Compound ID 7pCXZrJxm1A
InChI InChI=1S/C9H18O2/c1-3-5-6-7-8(4-2)9(10)11/h8H,3-7H2,1-2H3,(H,10,11)/t8-/m0/s1
InChIKey DYWSVUBJGFTOQC-QMMMGPOBSA-N
Mol Weight 158.24 g/mol
Molecular Formula C9H18O2
Exact Mass 158.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3oAYZuxuLXM
Name (2S)-2-Ethylheptanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18O2
InChI InChI=1S/C9H18O2/c1-3-5-6-7-8(4-2)9(10)11/h8H,3-7H2,1-2H3,(H,10,11)/t8-/m0/s1
InChIKey DYWSVUBJGFTOQC-QMMMGPOBSA-N
Literature Reference DOI 10.1021/ol063097o
Molecular Weight 158.241 g/mol
SMILES OC([C@@](CC)(CCCCC)[H])=O
SPLASH splash10-0079-9100000000-43f95ea21ae80e90ea5b
Source of Spectrum A1-9-1041/SMS15-arb6
Synonyms (S)-2-ethylheptanoic acid
Wiley ID 1757951