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Benzenecarbothioic acid, S-2-cyclohexen-1-yl ester
SpectraBase Compound ID GgcOOvEyFyE
InChI InChI=1S/C13H14OS/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1,3-5,7-9,12H,2,6,10H2
InChIKey KVOASXNZHMPRMO-UHFFFAOYSA-N
Mol Weight 218.31 g/mol
Molecular Formula C13H14OS
Exact Mass 218.076536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EjWBfLjSN84
Name Benzenecarbothioic acid, S-2-cyclohexen-1-yl ester
Alternate Name(s) S-(2-cyclohexen-1-yl) benzenecarbothioate S-cyclohex-2-enyl thiobenzoate
CAS Registry Number 102614-61-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14OS
InChI InChI=1S/C13H14OS/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1,3-5,7-9,12H,2,6,10H2
InChIKey KVOASXNZHMPRMO-UHFFFAOYSA-N
Molecular Weight 218.314 g/mol
SMILES C(SC1C=CCCC1)(=O)c1ccccc1
SPLASH splash10-0670-0940000000-1f312d7a3fd0b752721f
Source of Spectrum KC-1988-580-5
Wiley ID 1217671