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2-Nitro-3-phenylthiocyclohexanol

View entire compound with spectra: 2 MS (GC)

2-Nitro-3-phenylthiocyclohexanol
SpectraBase Compound ID 9ERlBypl5rn
InChI InChI=1S/C12H15NO3S/c14-10-7-4-8-11(12(10)13(15)16)17-9-5-2-1-3-6-9/h1-3,5-6,10-12,14H,4,7-8H2
InChIKey JMAJELGNXIAISE-UHFFFAOYSA-N
Mol Weight 253.32 g/mol
Molecular Formula C12H15NO3S
Exact Mass 253.077265 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L3V3ScxyP8L
Name 2-Nitro-3-phenylthiocyclohexanol
Alternate Name(s) 2-Nitro-3-(phenylsulfanyl)cyclohexanol 2-Nitro-3-(phenylthio)-1-cyclohexanol 2-Nitro-3-phenylsulfanyl-cyclohexan-1-ol 2-Nitro-3-phenylsulfanylcyclohexan-1-ol 2-Nitro-3-phenylsulfanyl-cyclohexanol
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Formula C12H15NO3S
InChI InChI=1S/C12H15NO3S/c14-10-7-4-8-11(12(10)13(15)16)17-9-5-2-1-3-6-9/h1-3,5-6,10-12,14H,4,7-8H2
InChIKey JMAJELGNXIAISE-UHFFFAOYSA-N
Molecular Weight 253.316 g/mol
SMILES OC1CCCC(C1N(=O)=O)Sc1ccccc1
SPLASH splash10-01td-9500000000-7a0abb01ff41a5f9c6de
Wiley ID 1486555