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(3S,4S,5S)-3-Isopropyl-5-nitro-4-phenylcyclohex-1-ene-carbaldehyde
SpectraBase Compound ID G5K3LHrJCNN
InChI InChI=1S/C16H19NO3/c1-11(2)14-8-12(10-18)9-15(17(19)20)16(14)13-6-4-3-5-7-13/h3-8,10-11,14-16H,9H2,1-2H3/t14-,15+,16-/m1/s1
InChIKey ZTJSMIOVATYRRD-OWCLPIDISA-N
Mol Weight 273.33 g/mol
Molecular Formula C16H19NO3
Exact Mass 273.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AmC18wRMuHs
Name (3S,4S,5S)-3-Isopropyl-5-nitro-4-phenylcyclohex-1-ene-carbaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19NO3
InChI InChI=1S/C16H19NO3/c1-11(2)14-8-12(10-18)9-15(17(19)20)16(14)13-6-4-3-5-7-13/h3-8,10-11,14-16H,9H2,1-2H3/t14-,15+,16-/m1/s1
InChIKey ZTJSMIOVATYRRD-OWCLPIDISA-N
Literature Reference DOI 10.1002/adsc.200700396
Molecular Weight 273.332 g/mol
SMILES C1(=C[C@@]([C@]([C@](C1)([N+](=O)[O-])[H])(c1ccccc1)[H])(C(C)C)[H])C=O
SPLASH splash10-05qc-2910000000-82bdd1bb4a2b20f0b158
Source of Spectrum ASC-350-267/SM8-6aa
Synonyms (1S,2S,6S)-6-isopropyl-2-nitro-1,2,3,6-tetrahydro-[1,1'-biphenyl]-4-carbaldehyde
Wiley ID 1766010