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Methyl-N-[(4-methylphenyl)sulfonyl]homocysteine

View entire compound with spectra: 2 MS (GC)

Methyl-N-[(4-methylphenyl)sulfonyl]homocysteine
SpectraBase Compound ID 3M2WA1a9tE1
InChI InChI=1S/C12H17NO4S2/c1-9-3-5-10(6-4-9)19(16,17)13-11(12(14)15)7-8-18-2/h3-6,11,13H,7-8H2,1-2H3,(H,14,15)
InChIKey WURIPAYKVUIDHJ-UHFFFAOYSA-N
Mol Weight 303.39 g/mol
Molecular Formula C12H17NO4S2
Exact Mass 303.0599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FTOqigSTFxZ
Name DL-METHIONINE, N-[(4-METHYLPHENYL)SULFONYL]-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H17NO4S2
InChI InChI=1S/C12H17NO4S2/c1-9-3-5-10(6-4-9)19(16,17)13-11(12(14)15)7-8-18-2/h3-6,11,13H,7-8H2,1-2H3,(H,14,15)
InChIKey WURIPAYKVUIDHJ-UHFFFAOYSA-N
Molecular Weight 303.0595
SMILES N(S(c1ccc(C)cc1)(=O)=O)C(C(O)=O)CCSC
SPLASH splash10-01vn-9400000000-857e1a47a2b0657754fb
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany