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Ethyl 2-{[m,p-Dichloro-o-(p-nitrobenzyloxy)carbonylmethyl]phenyl}-2-(phenylthio)acetate
SpectraBase Compound ID KoVBVq2tEE0
InChI InChI=1S/C25H21Cl2NO6S/c1-2-33-25(30)24(35-19-6-4-3-5-7-19)20-14-22(27)21(26)12-17(20)13-23(29)34-15-16-8-10-18(11-9-16)28(31)32/h3-12,14,24H,2,13,15H2,1H3
InChIKey QHLYUDPBBHQIGE-UHFFFAOYSA-N
Mol Weight 534.41 g/mol
Molecular Formula C25H21Cl2NO6S
Exact Mass 533.046664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 68wSwTTCsLK
Name Ethyl 2-{[m,p-Dichloro-o-(p-nitrobenzyloxy)carbonylmethyl]phenyl}-2-(phenylthio)acetate
Alternate Name(s) Ethyl 2-(4,5-dichloro-2-(2-((4-nitrobenzyl)oxy)-2-oxoethyl)phenyl)-2-(phenylthio)acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H21Cl2NO6S
InChI InChI=1S/C25H21Cl2NO6S/c1-2-33-25(30)24(35-19-6-4-3-5-7-19)20-14-22(27)21(26)12-17(20)13-23(29)34-15-16-8-10-18(11-9-16)28(31)32/h3-12,14,24H,2,13,15H2,1H3
InChIKey QHLYUDPBBHQIGE-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol703058p
Molecular Weight 534.410 g/mol
SMILES c1(cc(c(C(Sc2ccccc2)C(=O)OCC)cc1Cl)CC(OCc1ccc(cc1)[N+](=O)[O-])=O)Cl
SPLASH splash10-000i-5912000000-fb4a6013a710435cea02
Source of Spectrum A1-10-693/SMS5-5k
Wiley ID 1759158