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(2S)-2-Hydroxy-2-[(4-methylphenyl)sulfenylmethyl]hexanedioic Acid

View entire compound with spectra: 1 MS (GC)

(2S)-2-Hydroxy-2-[(4-methylphenyl)sulfenylmethyl]hexanedioic Acid
SpectraBase Compound ID Ibn9eyPCPB5
InChI InChI=1S/C14H18O5S/c1-10-4-6-11(7-5-10)20-9-14(19,13(17)18)8-2-3-12(15)16/h4-7,19H,2-3,8-9H2,1H3,(H,15,16)(H,17,18)/t14-/m1/s1
InChIKey MRTUNMWYONNELZ-CQSZACIVSA-N
Mol Weight 298.35 g/mol
Molecular Formula C14H18O5S
Exact Mass 298.087495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JDqGAL4Pyll
Name (2S)-2-Hydroxy-2-[(4-methylphenyl)sulfenylmethyl]hexanedioic Acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O5S
InChI InChI=1S/C14H18O5S/c1-10-4-6-11(7-5-10)20-9-14(19,13(17)18)8-2-3-12(15)16/h4-7,19H,2-3,8-9H2,1H3,(H,15,16)(H,17,18)/t14-/m1/s1
InChIKey MRTUNMWYONNELZ-CQSZACIVSA-N
Molecular Weight 298.353 g/mol
SMILES OC([C@@](CCCC(=O)O)(CSc1ccc(C)cc1)O)=O
SPLASH splash10-000i-1190000000-807af5f42ae67dc6e19e
Source of Spectrum F4-40-2107-5
Wiley ID 1711564