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(3S,4S,5R,6R)-3-Isopropyl-5-nitro-4-phenyl-6-((E)-prop-1-enyl)cyclohex-1-ene-carbaldehyde
SpectraBase Compound ID lgKvi6lnlW
InChI InChI=1S/C19H23NO3/c1-4-8-16-15(12-21)11-17(13(2)3)18(19(16)20(22)23)14-9-6-5-7-10-14/h4-13,16-19H,1-3H3/b8-4+/t16-,17-,18-,19+/m1/s1
InChIKey RXKZKURFJBWBRL-CACBMOMOSA-N
Mol Weight 313.4 g/mol
Molecular Formula C19H23NO3
Exact Mass 313.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bm76Wy3CKEI
Name (3S,4S,5R,6R)-3-Isopropyl-5-nitro-4-phenyl-6-((E)-prop-1-enyl)cyclohex-1-ene-carbaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H23NO3
InChI InChI=1S/C19H23NO3/c1-4-8-16-15(12-21)11-17(13(2)3)18(19(16)20(22)23)14-9-6-5-7-10-14/h4-13,16-19H,1-3H3/b8-4+/t16-,17-,18-,19+/m1/s1
InChIKey RXKZKURFJBWBRL-CACBMOMOSA-N
Literature Reference DOI 10.1002/adsc.200700396
Molecular Weight 313.397 g/mol
SMILES C1(=C[C@@]([C@]([C@]([C@@]1(\C=C\C)[H])([N+](=O)[O-])[H])(c1ccccc1)[H])(C(C)C)[H])C=O
SPLASH splash10-01b9-1950000000-b1c14f1a0f5742b1914e
Source of Spectrum ASC-350-267/SM10-6ag
Synonyms (1S,2R,3R,6S)-6-isopropyl-2-nitro-3-((E)-prop-1-en-1-yl)-1,2,3,6-tetrahydro-[1,1'-biphenyl]-4-carbaldehyde
Wiley ID 1766014