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(3S,4S,5S)-3-Methyl-5-nitro-4-phenylcyclohex-1-ene-carbaldehyde
SpectraBase Compound ID Hd1CdJJFEsL
InChI InChI=1S/C14H15NO3/c1-10-7-11(9-16)8-13(15(17)18)14(10)12-5-3-2-4-6-12/h2-7,9-10,13-14H,8H2,1H3/t10-,13-,14-/m0/s1
InChIKey SYTAUCJRFNVMIA-BPNCWPANSA-N
Mol Weight 245.28 g/mol
Molecular Formula C14H15NO3
Exact Mass 245.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1cAAE94aeMN
Name (3S,4S,5S)-3-Methyl-5-nitro-4-phenylcyclohex-1-ene-carbaldehyde
Alternate Name(s) (1S,2S,6S)-6-methyl-2-nitro-1,2,3,6-tetrahydro-[1,1'-biphenyl]-4-carbaldehyde
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Formula C14H15NO3
InChI InChI=1S/C14H15NO3/c1-10-7-11(9-16)8-13(15(17)18)14(10)12-5-3-2-4-6-12/h2-7,9-10,13-14H,8H2,1H3/t10-,13-,14-/m0/s1
InChIKey SYTAUCJRFNVMIA-BPNCWPANSA-N
Literature Reference DOI 10.1002/adsc.200700396
Molecular Weight 245.278 g/mol
SMILES C1(=C[C@@]([C@]([C@](C1)([N+](=O)[O-])[H])(c1ccccc1)[H])(C)[H])C=O
SPLASH splash10-05ox-4900000000-44515d7ec27588da8bfb
Source of Spectrum ASC-350-267/SM8-6z
Wiley ID 1766022