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(1R,2R)-1-Methanol-2-acetonitrile-4-cyclohexene mesylate
SpectraBase Compound ID LRkos8qxO7a
InChI InChI=1S/C10H15NO3S/c1-15(12,13)14-8-10-5-3-2-4-9(10)6-7-11/h2-3,9-10H,4-6,8H2,1H3/t9-,10+/m1/s1
InChIKey KBGRLWVWVVJJIH-ZJUUUORDSA-N
Mol Weight 229.29 g/mol
Molecular Formula C10H15NO3S
Exact Mass 229.077265 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KHr918hi2jI
Name (1R,2R)-1-Methanol-2-acetonitrile-4-cyclohexene mesylate
Alternate Name(s) ((1S,6S)-6-Methoxymethyl-cyclohex-3-enyl)-acetonitrile Methanesulfonic acid [(1R,6R)-6-(cyanomethyl)-1-cyclohex-3-enyl]methyl ester [(1R,6R)-6-(cyanomethyl)cyclohex-3-en-1-yl]methyl methanesulfonate
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Formula C10H15NO3S
InChI InChI=1S/C10H15NO3S/c1-15(12,13)14-8-10-5-3-2-4-9(10)6-7-11/h2-3,9-10H,4-6,8H2,1H3/t9-,10+/m1/s1
InChIKey KBGRLWVWVVJJIH-ZJUUUORDSA-N
Molecular Weight 229.294 g/mol
SMILES C(OS(=O)(=O)C)[C@]1([C@@](CC#N)(CC=CC1)[H])[H]
SPLASH splash10-0006-9300000000-5a1e0a1eb52eefb52f51
Source of Spectrum QC-1-798-13
Wiley ID 882874