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(1S,6R)-6-phenyl-1-cyclohex-3-enecarboxylic acid (methylthio)methyl ester
SpectraBase Compound ID 7miOiGtnrnH
InChI InChI=1S/C15H18O2S/c1-18-11-17-15(16)14-10-6-5-9-13(14)12-7-3-2-4-8-12/h2-8,13-14H,9-11H2,1H3/t13-,14-/m0/s1
InChIKey QYPDTHASXCMRQH-KBPBESRZSA-N
Mol Weight 262.37 g/mol
Molecular Formula C15H18O2S
Exact Mass 262.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B8NsRGbYN4B
Name (1S,6R)-6-phenyl-1-cyclohex-3-enecarboxylic acid (methylthio)methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C15H18O2S
InChI InChI=1S/C15H18O2S/c1-18-11-17-15(16)14-10-6-5-9-13(14)12-7-3-2-4-8-12/h2-8,13-14H,9-11H2,1H3/t13-,14-/m0/s1
InChIKey QYPDTHASXCMRQH-KBPBESRZSA-N
Molecular Weight 262.367 g/mol
SMILES C([C@@]1([C@](c2ccccc2)(CC=CC1)[H])[H])(OCSC)=O
SPLASH splash10-03di-9010000000-007097f001a233a052a8
Source of Spectrum KC-0-850-24
Synonyms (1S,6R)-6-phenylcyclohex-3-ene-1-carboxylic acid (methylthio)methyl ester methylsulfanylmethyl (1S,6R)-6-phenylcyclohex-3-ene-1-carboxylate
Wiley ID 780925