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Ethyl 2-[(o-Methoxycarbonylmethyl-m-nitro)phenyl]-2-(phenylthio)acetate
SpectraBase Compound ID KehrEjGkYVo
InChI InChI=1S/C20H21NO6S/c1-3-26-18(22)12-14-10-11-15(21(24)25)13-17(14)19(20(23)27-4-2)28-16-8-6-5-7-9-16/h5-11,13,19H,3-4,12H2,1-2H3
InChIKey OFWFWRPEZQUTTB-UHFFFAOYSA-N
Mol Weight 403.45 g/mol
Molecular Formula C20H21NO6S
Exact Mass 403.108959 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1zscOvkpMDm
Name Ethyl 2-[(o-Methoxycarbonylmethyl-m-nitro)phenyl]-2-(phenylthio)acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21NO6S
InChI InChI=1S/C20H21NO6S/c1-3-26-18(22)12-14-10-11-15(21(24)25)13-17(14)19(20(23)27-4-2)28-16-8-6-5-7-9-16/h5-11,13,19H,3-4,12H2,1-2H3
InChIKey OFWFWRPEZQUTTB-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol703058p
Molecular Weight 403.449 g/mol
SMILES c1cc(CC(OCC)=O)c(cc1[N+](=O)[O-])C(C(=O)OCC)Sc1ccccc1
SPLASH splash10-03di-4927100000-f9471551e01327c7f82a
Source of Spectrum A1-10-693/SMS4-5h
Synonyms Ethyl 2-(2-(2-ethoxy-2-oxoethyl)-5-nitrophenyl)-2-(phenylthio)acetate
Wiley ID 1759155