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Benzenecarbothioic acid, S-[3-hydroxy-2-(phenylseleno)propyl]ester
SpectraBase Compound ID 8Fn9YNYgeHY
InChI InChI=1S/C16H16O2SSe/c17-11-15(20-14-9-5-2-6-10-14)12-18-16(19)13-7-3-1-4-8-13/h1-10,15,17H,11-12H2/t15-/m0/s1
InChIKey UEHDXGUODLZARF-HNNXBMFYSA-N
Mol Weight 351.33 g/mol
Molecular Formula C16H16O2SSe
Exact Mass 352.003623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7FZd5MVGU5Y
Name Benzenecarbothioic acid, S-[3-hydroxy-2-(phenylseleno)propyl]ester
Alternate Name(s) O-[(2S)-3-hydroxy-2-(phenylselanyl)propyl]benzenecarbothioate S-3-hydroxy-2-(phenylseleno)propyl thiobenzoate
CAS Registry Number 101327-59-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O2SSe
InChI InChI=1S/C16H16O2SSe/c17-11-15(20-14-9-5-2-6-10-14)12-18-16(19)13-7-3-1-4-8-13/h1-10,15,17H,11-12H2/t15-/m0/s1
InChIKey UEHDXGUODLZARF-HNNXBMFYSA-N
Molecular Weight 351.334 g/mol
SMILES OC[C@]([Se]c1ccccc1)(COC(=S)c1ccccc1)[H]
SPLASH splash10-0a4i-0900000000-b1a8a785af0ffa0823e0
Source of Spectrum KC-1988-579-2
Wiley ID 1343005