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Benzyl 2-{[o-(Benzhydryloxy)carbonylmethyl]phenyl}-2-(phenylthio)acetate
SpectraBase Compound ID J3jrGhi2sBt
InChI InChI=1S/C36H30O4S/c37-33(40-34(28-17-7-2-8-18-28)29-19-9-3-10-20-29)25-30-21-13-14-24-32(30)35(41-31-22-11-4-12-23-31)36(38)39-26-27-15-5-1-6-16-27/h1-24,34-35H,25-26H2
InChIKey VZNHBDZRTAGXIM-UHFFFAOYSA-N
Mol Weight 558.7 g/mol
Molecular Formula C36H30O4S
Exact Mass 558.186481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6oedQiehTVC
Name Benzyl 2-{[o-(Benzhydryloxy)carbonylmethyl]phenyl}-2-(phenylthio)acetate
Alternate Name(s) Benzyl 2-(2-(2-(benzhydryloxy)-2-oxoethyl)phenyl)-2-(phenylthio)acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H30O4S
InChI InChI=1S/C36H30O4S/c37-33(40-34(28-17-7-2-8-18-28)29-19-9-3-10-20-29)25-30-21-13-14-24-32(30)35(41-31-22-11-4-12-23-31)36(38)39-26-27-15-5-1-6-16-27/h1-24,34-35H,25-26H2
InChIKey VZNHBDZRTAGXIM-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol703058p
Molecular Weight 558.692 g/mol
SMILES c1cc(c(C(Sc2ccccc2)C(OCc2ccccc2)=O)cc1)CC(=O)OC(c1ccccc1)c1ccccc1
SPLASH splash10-00kf-6910000000-d39731ecefb274050249
Source of Spectrum A1-10-693/SMS5-5n
Wiley ID 1759161