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Ethyl 2-[(o-Benzyloxycarbonylmethyl-m-bromo)phenyl]-2-(phenylthio)acetate
SpectraBase Compound ID 545r2WqPXCa
InChI InChI=1S/C25H23BrO4S/c1-2-29-25(28)24(31-21-11-7-4-8-12-21)22-16-20(26)14-13-19(22)15-23(27)30-17-18-9-5-3-6-10-18/h3-14,16,24H,2,15,17H2,1H3
InChIKey MJFSPRYVLUNUNS-UHFFFAOYSA-N
Mol Weight 499.42 g/mol
Molecular Formula C25H23BrO4S
Exact Mass 498.050043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GHtnRT1I70R
Name Ethyl 2-[(o-Benzyloxycarbonylmethyl-m-bromo)phenyl]-2-(phenylthio)acetate
Alternate Name(s) Ethyl 2-(2-(2-(benzyloxy)-2-oxoethyl)-5-bromophenyl)-2-(phenylthio)acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H23BrO4S
InChI InChI=1S/C25H23BrO4S/c1-2-29-25(28)24(31-21-11-7-4-8-12-21)22-16-20(26)14-13-19(22)15-23(27)30-17-18-9-5-3-6-10-18/h3-14,16,24H,2,15,17H2,1H3
InChIKey MJFSPRYVLUNUNS-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol703058p
Molecular Weight 499.419 g/mol
SMILES c1cc(c(cc1Br)C(Sc1ccccc1)C(=O)OCC)CC(OCc1ccccc1)=O
SPLASH splash10-0006-9010000000-3db3f3218435a82b7156
Source of Spectrum A1-10-693/SMS4-5j
Wiley ID 1759157