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3,4-bis[3-(N,N-dimethylamino)acryloyl]-1-[4-(3-(N,N-dimethylamino)-acryloyl)phenyl]-5-methyl-1H-pyrazole
SpectraBase Compound ID tTCvLHurPR
InChI InChI=1S/C25H31N5O3/c1-18-24(22(32)13-16-28(4)5)25(23(33)14-17-29(6)7)26-30(18)20-10-8-19(9-11-20)21(31)12-15-27(2)3/h8-17H,1-7H3
InChIKey UFHYEHCJEDJEJR-UHFFFAOYSA-N
Mol Weight 449.56 g/mol
Molecular Formula C25H31N5O3
Exact Mass 449.24269 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1qZYQdEtYe
Name 3,4-bis[3-(N,N-dimethylamino)acryloyl]-1-[4-(3-(N,N-dimethylamino)-acryloyl)phenyl]-5-methyl-1H-pyrazole
Appearance Orange solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H31N5O3
InChI InChI=1S/C25H31N5O3/c1-18-24(22(32)13-16-28(4)5)25(23(33)14-17-29(6)7)26-30(18)20-10-8-19(9-11-20)21(31)12-15-27(2)3/h8-17H,1-7H3
InChIKey UFHYEHCJEDJEJR-UHFFFAOYSA-N
Instrument Name AEI MS 30
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2644
Molecular Weight 449.555 g/mol
SMILES CN(C)C=CC(=O)c1n[n](c(c1C(C=CN(C)C)=O)C)-c1ccc(cc1)C(C=CN(C)C)=O
SPLASH splash10-006t-9001000000-a76dae7e3888dc71604e
Source of Spectrum Y-54-702-4
Wiley ID 1877937