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(Z,2S)-4-(4-methylphenyl)sulfanyl-4-nitro-but-3-en-2-ol
SpectraBase Compound ID 7CsyxFsSkI6
InChI InChI=1S/C11H13NO3S/c1-8-3-5-10(6-4-8)16-11(12(14)15)7-9(2)13/h3-7,9,13H,1-2H3/b11-7-/t9-/m0/s1
InChIKey UJHHRAKNYKNLSO-MKVDPYIPSA-N
Mol Weight 239.29 g/mol
Molecular Formula C11H13NO3S
Exact Mass 239.061614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2X0IDO5NYfZ
Name (Z,2S)-4-(4-methylphenyl)sulfanyl-4-nitro-but-3-en-2-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13NO3S
InChI InChI=1S/C11H13NO3S/c1-8-3-5-10(6-4-8)16-11(12(14)15)7-9(2)13/h3-7,9,13H,1-2H3/b11-7-/t9-/m0/s1
InChIKey UJHHRAKNYKNLSO-MKVDPYIPSA-N
Molecular Weight 239.289 g/mol
SMILES O[C@](\C=C\(N(=O)=O)Sc1ccc(cc1)C)(C)[H]
SPLASH splash10-0002-9710000000-bcf205ff98588407dd0d
Source of Spectrum KC-0-942-10
Synonyms (Z,2S)-4-nitro-4-(p-tolylsulfanyl)but-3-en-2-ol (Z,2S)-4-nitro-4-(p-tolylthio)but-3-en-2-ol (Z,2S)-4-[(4-methylphenyl)thio]-4-nitro-3-buten-2-ol
Wiley ID 827649