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(3S,4S,5S)-3-Methyl-5-nitro-4-phenylcyclohex-1-enyl-methanol
SpectraBase Compound ID JzO7RN1Is71
InChI InChI=1S/C14H17NO3/c1-10-7-11(9-16)8-13(15(17)18)14(10)12-5-3-2-4-6-12/h2-7,10,13-14,16H,8-9H2,1H3/t10-,13-,14-/m0/s1
InChIKey HXWYNKAJVPAHML-BPNCWPANSA-N
Mol Weight 247.29 g/mol
Molecular Formula C14H17NO3
Exact Mass 247.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3SU7vYinhhr
Name (3S,4S,5S)-3-Methyl-5-nitro-4-phenylcyclohex-1-enyl-methanol
Alternate Name(s) ((1S,2S,6S)-6-methyl-2-nitro-1,2,3,6-tetrahydro-[1,1'-biphenyl]-4-yl)methanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17NO3
InChI InChI=1S/C14H17NO3/c1-10-7-11(9-16)8-13(15(17)18)14(10)12-5-3-2-4-6-12/h2-7,10,13-14,16H,8-9H2,1H3/t10-,13-,14-/m0/s1
InChIKey HXWYNKAJVPAHML-BPNCWPANSA-N
Literature Reference DOI 10.1002/adsc.200700396
Molecular Weight 247.294 g/mol
SMILES OCC1=C[C@@]([C@]([C@](C1)([N+](=O)[O-])[H])(c1ccccc1)[H])(C)[H]
SPLASH splash10-066r-1900000000-4a443ef7cdc0292c85ff
Source of Spectrum ASC-350-267/SM16-18
Wiley ID 1765993