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Ethyl N-(p-tolylsulfonyl)-5,5-dimethyl-6-amino-3-hexenoate
SpectraBase Compound ID 7COSuFMXul
InChI InChI=1S/C17H25NO4S/c1-5-22-16(19)7-6-12-17(3,4)13-18-23(20,21)15-10-8-14(2)9-11-15/h6,8-12,18H,5,7,13H2,1-4H3/b12-6-
InChIKey KSNCYJNNRZVYNA-SDQBBNPISA-N
Mol Weight 339.45 g/mol
Molecular Formula C17H25NO4S
Exact Mass 339.150429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID dpg3VZCqyM
Name Ethyl N-(p-tolylsulfonyl)-5,5-dimethyl-6-amino-3-hexenoate
Alternate Name(s) Ethyl (3Z)-5,5-dimethyl-6-{[(4-methylphenyl)sulfonyl]amino}-3-hexenoate
CAS Registry Number 116700-30-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H25NO4S
InChI InChI=1S/C17H25NO4S/c1-5-22-16(19)7-6-12-17(3,4)13-18-23(20,21)15-10-8-14(2)9-11-15/h6,8-12,18H,5,7,13H2,1-4H3/b12-6-
InChIKey KSNCYJNNRZVYNA-SDQBBNPISA-N
Molecular Weight 339.450 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)CC(\C=C/CC(=O)OCC)(C)C
SPLASH splash10-0a4r-0910000000-9c0da8e8019dc39865e4
Source of Spectrum J-53-5741-17
Wiley ID 1334423