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2-(N-Phenylamino)-6-(4-methoxyphenyl)-7-nitrioct-2-en-4-one isomer
SpectraBase Compound ID 5Sjc4K2Prhs
InChI InChI=1S/C21H24N2O4/c1-15(22-18-7-5-4-6-8-18)13-19(24)14-21(16(2)23(25)26)17-9-11-20(27-3)12-10-17/h4-13,16,21-22H,14H2,1-3H3/b15-13-
InChIKey WPGXSWYDYBOVKK-SQFISAMPSA-N
Mol Weight 368.43 g/mol
Molecular Formula C21H24N2O4
Exact Mass 368.173607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JB74ILKHbTK
Name 2-(N-Phenylamino)-6-(4-methoxyphenyl)-7-nitrioct-2-en-4-one isomer
Alternate Name(s) (2Z)-2-anilino-6-(4-methoxyphenyl)-7-nitro-2-octen-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24N2O4
InChI InChI=1S/C21H24N2O4/c1-15(22-18-7-5-4-6-8-18)13-19(24)14-21(16(2)23(25)26)17-9-11-20(27-3)12-10-17/h4-13,16,21-22H,14H2,1-3H3/b15-13-
InChIKey WPGXSWYDYBOVKK-SQFISAMPSA-N
Molecular Weight 368.433 g/mol
SMILES N(\C(=C/C(CC(C(N(=O)=O)C)c1ccc(cc1)OC)=O)C)c1ccccc1
SPLASH splash10-03di-0900000000-5fae3a2101cc8f64c449
Source of Spectrum F-50-9835-10
Wiley ID 1353150