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2-(Phenylthio)ethyl cyclohexanecarboxylate
SpectraBase Compound ID 4ltlL23d2rh
InChI InChI=1S/C15H20O2S/c16-15(13-7-3-1-4-8-13)17-11-12-18-14-9-5-2-6-10-14/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2
InChIKey OIGKTXBWRMLNSS-UHFFFAOYSA-N
Mol Weight 264.38 g/mol
Molecular Formula C15H20O2S
Exact Mass 264.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IBO9cJP4hxw
Name 2-(Phenylthio)ethyl cyclohexanecarboxylate
Appearance Yellow oil
Carrier Gas Argon
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Formula C15H20O2S
GC Column HP-5 (30 m x 0.32 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C15H20O2S/c16-15(13-7-3-1-4-8-13)17-11-12-18-14-9-5-2-6-10-14/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2
InChIKey OIGKTXBWRMLNSS-UHFFFAOYSA-N
Instrument Name Agilent HP-7890A-AMD 402
Ionization Type EI
Literature Reference DOI 10.1002/anie.202211939
Molecular Weight 264.383 g/mol
Quality 204
Reported Formula C15H20O2S
SMILES C1(=CC=CC=C1)SCCOC(=O)C1CCCCC1
SPLASH splash10-000i-2900000000-c52b5c5064546a8d0933
Source of Spectrum ACI-61-SM49-69 (DOI: 10.1002/anie.202211939)
Wiley ID 1899579