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Benzenecarbothioic acid, S-[2-(phenylseleno)cyclopentyl]ester, trans-
SpectraBase Compound ID ENej1kFMOvG
InChI InChI=1S/C18H18OSSe/c19-18(14-8-3-1-4-9-14)20-16-12-7-13-17(16)21-15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2/t16-,17-/m1/s1
InChIKey LUGRTCTXUOGWHB-IAGOWNOFSA-N
Mol Weight 361.37 g/mol
Molecular Formula C18H18OSSe
Exact Mass 362.024358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID zcOyr5vqTR
Name Benzenecarbothioic acid, S-[2-(phenylseleno)cyclopentyl]ester, trans-
CAS Registry Number 101327-62-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18OSSe
InChI InChI=1S/C18H18OSSe/c19-18(14-8-3-1-4-9-14)20-16-12-7-13-17(16)21-15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2/t16-,17-/m1/s1
InChIKey LUGRTCTXUOGWHB-IAGOWNOFSA-N
Molecular Weight 361.373 g/mol
SMILES C(S[C@]1([C@]([Se]c2ccccc2)(CCC1)[H])[H])(=O)c1ccccc1
SPLASH splash10-0a4i-0900000000-2246c5baac4e3ef5cf1a
Source of Spectrum KC-1988-579-2
Synonyms S-[(1R,2R)-2-(phenylselanyl)cyclopentyl]benzenecarbothioate trans S-2-(phenylseleno)cyclopentyl thiobenzoate
Wiley ID 1349419