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Benzenecarbothioic acid, S-[2-(phenylseleno)cyclohexyl]ester, trans-
SpectraBase Compound ID LmsCnz4O3xV
InChI InChI=1S/C19H20OSSe/c20-19(15-9-3-1-4-10-15)21-17-13-7-8-14-18(17)22-16-11-5-2-6-12-16/h1-6,9-12,17-18H,7-8,13-14H2/t17-,18-/m1/s1
InChIKey IBSPBPCZIZKDAJ-QZTJIDSGSA-N
Mol Weight 375.4 g/mol
Molecular Formula C19H20OSSe
Exact Mass 376.040008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 431v5JgNzGM
Name Benzenecarbothioic acid, S-[2-(phenylseleno)cyclohexyl]ester, trans-
Alternate Name(s) S-[(1R,2R)-2-(phenylselanyl)cyclohexyl]benzenecarbothioate trans-S-2-(phenylseleno)cyclohexyl thiobenzoate
CAS Registry Number 101327-60-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20OSSe
InChI InChI=1S/C19H20OSSe/c20-19(15-9-3-1-4-10-15)21-17-13-7-8-14-18(17)22-16-11-5-2-6-12-16/h1-6,9-12,17-18H,7-8,13-14H2/t17-,18-/m1/s1
InChIKey IBSPBPCZIZKDAJ-QZTJIDSGSA-N
Molecular Weight 375.400 g/mol
SMILES C(S[C@]1([C@]([Se]c2ccccc2)(CCCC1)[H])[H])(=O)c1ccccc1
SPLASH splash10-0a4i-0910000000-963059b7a94494c02058
Source of Spectrum KC-1988-579-2
Wiley ID 1357577