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Ethyl 3-[E-3-(N,N-dimethylamino)acryloyl]-1-(4-nitrophenyl)-5-phenyl-1H-pyrazole-4-carboxylate
SpectraBase Compound ID 3ZzbnQ0vIt
InChI InChI=1S/C23H22N4O5/c1-4-32-23(29)20-21(19(28)14-15-25(2)3)24-26(22(20)16-8-6-5-7-9-16)17-10-12-18(13-11-17)27(30)31/h5-15H,4H2,1-3H3/b15-14+
InChIKey LITPBHALNWVUKT-CCEZHUSRSA-N
Mol Weight 434.45 g/mol
Molecular Formula C23H22N4O5
Exact Mass 434.15902 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Lp1pJcE9H8
Name Ethyl 3-[E-3-(N,N-dimethylamino)acryloyl]-1-(4-nitrophenyl)-5-phenyl-1H-pyrazole-4-carboxylate
Appearance Red crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22N4O5
InChI InChI=1S/C23H22N4O5/c1-4-32-23(29)20-21(19(28)14-15-25(2)3)24-26(22(20)16-8-6-5-7-9-16)17-10-12-18(13-11-17)27(30)31/h5-15H,4H2,1-3H3/b15-14+
InChIKey LITPBHALNWVUKT-CCEZHUSRSA-N
Instrument Name AEI MS 30
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0010.e08
Molecular Weight 434.452 g/mol
SMILES C(C)OC(=O)c1c(n[n](c1-c1ccccc1)-c1ccc(cc1)[N+]([O-])=O)C(\C=C\N(C)C)=O
SPLASH splash10-006t-9005000000-ebe8597a5adb0413317e
Source of Spectrum ARK-2009-96-4e
Wiley ID 1869893