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3-Nitro-6-phenyl-1-(p-tolyl)hex-3-en-1-one
SpectraBase Compound ID HMiFg2B4jdp
InChI InChI=1S/C19H19NO3/c1-15-10-12-17(13-11-15)19(21)14-18(20(22)23)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-13H,5,8,14H2,1H3
InChIKey QBWXGZHHGLSHGX-UHFFFAOYSA-N
Mol Weight 309.37 g/mol
Molecular Formula C19H19NO3
Exact Mass 309.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8r7yVXC0D4S
Name 3-Nitro-6-phenyl-1-(p-tolyl)hex-3-en-1-one
Appearance Dark red oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19NO3
InChI InChI=1S/C19H19NO3/c1-15-10-12-17(13-11-15)19(21)14-18(20(22)23)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-13H,5,8,14H2,1H3
InChIKey QBWXGZHHGLSHGX-UHFFFAOYSA-N
Instrument Name Hewlett Packard 6890N
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202000747
Molecular Weight 309.365 g/mol
SMILES C(CC(=CCCc1ccccc1)[N+](=O)[O-])(=O)c1ccc(cc1)C
SPLASH splash10-01b9-1900000000-733c7885d52ec77a3469
Sample Comments E/Z = 97:3
Source of Spectrum ASC-362-4685-2g
Wiley ID 1855602