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Ethyl 2-[(m-Bromo-o-methoxycarbonylmethyl)phenyl]-2-(phenylthio)acetate
SpectraBase Compound ID 1rJ4sZdXjxs
InChI InChI=1S/C19H19BrO4S/c1-3-24-19(22)18(25-15-7-5-4-6-8-15)16-12-14(20)10-9-13(16)11-17(21)23-2/h4-10,12,18H,3,11H2,1-2H3
InChIKey KGCPCTSWRHAJAN-UHFFFAOYSA-N
Mol Weight 423.32 g/mol
Molecular Formula C19H19BrO4S
Exact Mass 422.018743 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 26cJJzWpfM
Name Ethyl 2-[(m-Bromo-o-methoxycarbonylmethyl)phenyl]-2-(phenylthio)acetate
Alternate Name(s) Ethyl 2-(5-bromo-2-(2-methoxy-2-oxoethyl)phenyl)-2-(phenylthio)acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19BrO4S
InChI InChI=1S/C19H19BrO4S/c1-3-24-19(22)18(25-15-7-5-4-6-8-15)16-12-14(20)10-9-13(16)11-17(21)23-2/h4-10,12,18H,3,11H2,1-2H3
InChIKey KGCPCTSWRHAJAN-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol703058p
Molecular Weight 423.321 g/mol
SMILES c1cc(CC(OC)=O)c(cc1Br)C(Sc1ccccc1)C(=O)OCC
SPLASH splash10-002b-4729200000-778e954987d93ceef316
Source of Spectrum A1-10-693/SMS4-5g
Wiley ID 1759154