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Benzenebutanoic acid, .alpha.-[(aminosulfonyl)amino]-, ethyl ester, (.+-.)-
SpectraBase Compound ID 9mcwh95YzrV
InChI InChI=1S/C12H18N2O4S/c1-2-18-12(15)11(14-19(13,16)17)9-8-10-6-4-3-5-7-10/h3-7,11,14H,2,8-9H2,1H3,(H2,13,16,17)
InChIKey IUWQLQKIYTUPIO-UHFFFAOYSA-N
Mol Weight 286.35 g/mol
Molecular Formula C12H18N2O4S
Exact Mass 286.098728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4AgnobaWwOk
Name Benzenebutanoic acid, .alpha.-[(aminosulfonyl)amino]-, ethyl ester, (.+-.)-
CAS Registry Number 120991-31-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18N2O4S
InChI InChI=1S/C12H18N2O4S/c1-2-18-12(15)11(14-19(13,16)17)9-8-10-6-4-3-5-7-10/h3-7,11,14H,2,8-9H2,1H3,(H2,13,16,17)
InChIKey IUWQLQKIYTUPIO-UHFFFAOYSA-N
Molecular Weight 286.346 g/mol
SMILES N(S(=O)(=O)N)C(C(=O)OCC)CCc1ccccc1
SPLASH splash10-02u0-0910000000-2b61dace49b99a364da5
Source of Spectrum J-54-3082-12
Synonyms Ethyl 2-sulfamido-4-phenylbutanoate Ethyl 2-[(aminosulfonyl)amino]-4-phenylbutanoate
Wiley ID 1289387