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(2E)-3-[(4-phenyl-1H-pyrazol-5-yl)carbamoyl]prop-2-enoic acid
SpectraBase Compound ID 4l74I2vhDVz
InChI InChI=1S/C13H11N3O3/c17-11(6-7-12(18)19)15-13-10(8-14-16-13)9-4-2-1-3-5-9/h1-8H,(H,18,19)(H2,14,15,16,17)/b7-6+
InChIKey BCLVWJYCCSVQBE-VOTSOKGWSA-N
Mol Weight 257.25 g/mol
Molecular Formula C13H11N3O3
Exact Mass 257.080041 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8n2ICtzZQHS
Name (2E)-3-[(4-phenyl-1H-pyrazol-5-yl)carbamoyl]prop-2-enoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11N3O3
InChI InChI=1S/C13H11N3O3/c17-11(6-7-12(18)19)15-13-10(8-14-16-13)9-4-2-1-3-5-9/h1-8H,(H,18,19)(H2,14,15,16,17)/b7-6+
InChIKey BCLVWJYCCSVQBE-VOTSOKGWSA-N
Molecular Weight 257.249 g/mol
SMILES [nH]1ncc(c1NC(\C=C\C(O)=O)=O)-c1ccccc1
SPLASH splash10-0a4i-4910000000-678b3bcfcf5849edbfb2
Source of Spectrum IY-2-5095-3
Synonyms 2-Butenoic acid, 4-oxo-4-[(4-phenyl-1H-pyrazol-5-yl)amino]-, (E)-4-oxo-4-[(4-phenyl-1H-pyrazol-5-yl)amino]-2-butenoic acid (E)-4-oxo-4-[(4-phenyl-1H-pyrazol-5-yl)amino]but-2-enoic acid (E)-4-oxidanylidene-4-[(4-phenyl-1H-pyrazol-5-yl)amino]but-2-enoic acid
Wiley ID 1658936