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Methyl S-(-)-3-Formyl-2-(phenylthio)nonanoate
SpectraBase Compound ID JR3NjaNAFOF
InChI InChI=1S/C17H24O3S/c1-3-4-5-7-10-14(13-18)16(17(19)20-2)21-15-11-8-6-9-12-15/h6,8-9,11-14,16H,3-5,7,10H2,1-2H3/t14?,16-/m0/s1
InChIKey VUMSRVAVSPNVKY-WMCAAGNKSA-N
Mol Weight 308.44 g/mol
Molecular Formula C17H24O3S
Exact Mass 308.144616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EEU1Qzevx4G
Name Methyl S-(-)-3-Formyl-2-(phenylthio)nonanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24O3S
InChI InChI=1S/C17H24O3S/c1-3-4-5-7-10-14(13-18)16(17(19)20-2)21-15-11-8-6-9-12-15/h6,8-9,11-14,16H,3-5,7,10H2,1-2H3/t14?,16-/m0/s1
InChIKey VUMSRVAVSPNVKY-WMCAAGNKSA-N
Molecular Weight 308.436 g/mol
SMILES [C@@](C(=O)OC)(Sc1ccccc1)(C(C=O)CCCCCC)[H]
SPLASH splash10-090r-3950000000-75898975865951b46bf4
Source of Spectrum K-127-1717-12
Synonyms Methyl (2S)-3-formyl-2-(phenylsulfanyl)nonanoate
Wiley ID 1309763