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Benzenecarbothioic acid, S-[2,4-diphenyl-4-(phenylseleno)butyl]ester
SpectraBase Compound ID z9XQSEsp7w
InChI InChI=1S/C29H26OSSe/c30-29(25-17-9-3-10-18-25)31-21-27(23-13-5-1-6-14-23)28(24-15-7-2-8-16-24)22-32-26-19-11-4-12-20-26/h1-20,27-28H,21-22H2
InChIKey ULJDBWZQPFHWDA-UHFFFAOYSA-N
Mol Weight 501.56 g/mol
Molecular Formula C29H26OSSe
Exact Mass 502.086959 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Y1Z4aUmqTl
Name Benzenecarbothioic acid, S-[2,4-diphenyl-4-(phenylseleno)butyl]ester
CAS Registry Number 101327-65-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H26OSSe
InChI InChI=1S/C29H26OSSe/c30-29(25-17-9-3-10-18-25)31-21-27(23-13-5-1-6-14-23)28(24-15-7-2-8-16-24)22-32-26-19-11-4-12-20-26/h1-20,27-28H,21-22H2
InChIKey ULJDBWZQPFHWDA-UHFFFAOYSA-N
Molecular Weight 501.558 g/mol
SMILES C(SCC(C(C[Se]c1ccccc1)c1ccccc1)c1ccccc1)(=O)c1ccccc1
SPLASH splash10-0a4i-0904000000-9292bd915553806e4930
Source of Spectrum KC-1988-579-3
Synonyms 1-Phenylseleno-2,3-diphenyl-4-benzoylthio-butane S-[2,3-diphenyl-4-(phenylselanyl)butyl]benzenecarbothioate
Wiley ID 1399246