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Benzenecarbothioic acid, S-[3-phenyl-2-(phenylseleno)propyl]ester
SpectraBase Compound ID 4Vd3wTpPprd
InChI InChI=1S/C22H20OSSe/c24-22(19-12-6-2-7-13-19)23-17-21(16-18-10-4-1-5-11-18)25-20-14-8-3-9-15-20/h1-15,21H,16-17H2/t21-/m0/s1
InChIKey BDDAXWBAKDOULX-NRFANRHFSA-N
Mol Weight 411.43 g/mol
Molecular Formula C22H20OSSe
Exact Mass 412.040008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1M6tX8GBfOW
Name Benzenecarbothioic acid, S-[3-phenyl-2-(phenylseleno)propyl]ester
CAS Registry Number 127801-27-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20OSSe
InChI InChI=1S/C22H20OSSe/c24-22(19-12-6-2-7-13-19)23-17-21(16-18-10-4-1-5-11-18)25-20-14-8-3-9-15-20/h1-15,21H,16-17H2/t21-/m0/s1
InChIKey BDDAXWBAKDOULX-NRFANRHFSA-N
Molecular Weight 411.433 g/mol
SMILES C(=S)(OC[C@@]([Se]c1ccccc1)(Cc1ccccc1)[H])c1ccccc1
SPLASH splash10-0a4i-0910000000-51fb56d72a62a9e6d0cf
Source of Spectrum KC-1989-1929-3
Synonyms O-[(2S)-3-phenyl-2-(phenylselanyl)propyl]benzenecarbothioate S-3-phenyl-2-(phenylseleno)propyl thiobenzoate
Wiley ID 1374366