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Benzenecarbothioic acid, S-[3-(acetyloxy)-2-(phenylseleno)propyl]ester
SpectraBase Compound ID KkG8ZKkrwP3
InChI InChI=1S/C18H18O3SSe/c1-14(19)20-12-17(23-16-10-6-3-7-11-16)13-21-18(22)15-8-4-2-5-9-15/h2-11,17H,12-13H2,1H3/t17-/m0/s1
InChIKey ZYLOXKQJPZZJOX-KRWDZBQOSA-N
Mol Weight 393.37 g/mol
Molecular Formula C18H18O3SSe
Exact Mass 394.014188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DG8xLVFMObo
Name Benzenecarbothioic acid, S-[3-(acetyloxy)-2-(phenylseleno)propyl]ester
CAS Registry Number 117156-99-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18O3SSe
InChI InChI=1S/C18H18O3SSe/c1-14(19)20-12-17(23-16-10-6-3-7-11-16)13-21-18(22)15-8-4-2-5-9-15/h2-11,17H,12-13H2,1H3/t17-/m0/s1
InChIKey ZYLOXKQJPZZJOX-KRWDZBQOSA-N
Molecular Weight 393.371 g/mol
SMILES C(OC[C@@]([Se]c1ccccc1)(COC(=O)C)[H])(=S)c1ccccc1
SPLASH splash10-0a4i-0900000000-392568ac23ad77ebe586
Source of Spectrum KC-1988-579-2
Synonyms (2S)-3-(benzothioyloxy)-2-(phenylselanyl)propyl acetate 3-Benzylthio-2-(phenylseleno)propyl acetate
Wiley ID 1366500