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4-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)butanoic acid ethyl ester
SpectraBase Compound ID THi5tT3oiK
InChI InChI=1S/C21H27NO6S/c1-5-28-21(23)7-6-14-22(17-10-13-19(26-3)20(15-17)27-4)29(24,25)18-11-8-16(2)9-12-18/h8-13,15H,5-7,14H2,1-4H3
InChIKey HFXDDMJNSRNZSO-UHFFFAOYSA-N
Mol Weight 421.51 g/mol
Molecular Formula C21H27NO6S
Exact Mass 421.155909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5bnuIIXpMEs
Name 4-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)butanoic acid ethyl ester
CAS Registry Number 24310-38-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27NO6S
InChI InChI=1S/C21H27NO6S/c1-5-28-21(23)7-6-14-22(17-10-13-19(26-3)20(15-17)27-4)29(24,25)18-11-8-16(2)9-12-18/h8-13,15H,5-7,14H2,1-4H3
InChIKey HFXDDMJNSRNZSO-UHFFFAOYSA-N
Molecular Weight 421.508 g/mol
SMILES c1(S(N(CCCC(OCC)=O)c2cc(OC)c(OC)cc2)(=O)=O)ccc(C)cc1
SPLASH splash10-00xr-0090500000-4a1e2695687260ecb005
Source of Spectrum O-2-344-24
Synonyms 4-(3,4-dimethoxy-N-tosyl-anilino)butyric acid ethyl ester Ethyl 4-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)butanoate Ethyl 4-[(3,4-dimethoxyphenyl)-(4-methylphenyl)sulfonyl-amino]butanoate Ethyl 4-[3,4-dimethoxy-N-(p-tolylsulfonyl)anilino]butanoate
Wiley ID 1378285