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Benzenecarbothioic acid, S-[3-(acetylamino)-2-(phenylseleno)propyl]ester
SpectraBase Compound ID q36qrTfQOp
InChI InChI=1S/C18H19NO2SSe/c1-14(20)19-12-17(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,(H,19,20)/t17-/m0/s1
InChIKey UYWMXQGRHJISIV-KRWDZBQOSA-N
Mol Weight 392.39 g/mol
Molecular Formula C18H19NO2SSe
Exact Mass 393.030172 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4bSkIy3GzKL
Name Benzenecarbothioic acid, S-[3-(acetylamino)-2-(phenylseleno)propyl]ester
CAS Registry Number 117157-00-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19NO2SSe
InChI InChI=1S/C18H19NO2SSe/c1-14(20)19-12-17(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,(H,19,20)/t17-/m0/s1
InChIKey UYWMXQGRHJISIV-KRWDZBQOSA-N
Molecular Weight 392.387 g/mol
SMILES N(C(=O)C)C[C@]([Se]c1ccccc1)(COC(=S)c1ccccc1)[H]
SPLASH splash10-0a4i-0900000000-62d977f8bbe65c240a24
Source of Spectrum KC-1988-579-2
Synonyms O-[(2S)-3-(acetylamino)-2-(phenylselanyl)propyl]benzenecarbothioate S-3-acetamido-2-(phenylseleno)propyl thiobenzoate
Wiley ID 1366186