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1H-Pyrazole-3,4-dicarboxylic acid, 5-(1-oxo-3-phenyl-2-propenyl)-, dimethyl ester, (E)-
SpectraBase Compound ID K4WmfS8vPGP
InChI InChI=1S/C16H14N2O5/c1-22-15(20)12-13(17-18-14(12)16(21)23-2)11(19)9-8-10-6-4-3-5-7-10/h3-9H,1-2H3,(H,17,18)/b9-8+
InChIKey IDYWWWJTVDKUNE-CMDGGOBGSA-N
Mol Weight 314.3 g/mol
Molecular Formula C16H14N2O5
Exact Mass 314.090272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 47zRiDyB936
Name 1H-Pyrazole-3,4-dicarboxylic acid, 5-(1-oxo-3-phenyl-2-propenyl)-, dimethyl ester, (E)-
CAS Registry Number 108163-65-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14N2O5
InChI InChI=1S/C16H14N2O5/c1-22-15(20)12-13(17-18-14(12)16(21)23-2)11(19)9-8-10-6-4-3-5-7-10/h3-9H,1-2H3,(H,17,18)/b9-8+
InChIKey IDYWWWJTVDKUNE-CMDGGOBGSA-N
Molecular Weight 314.297 g/mol
SMILES [nH]1nc(c(c1C(\C=C\c1ccccc1)=O)C(=O)OC)C(=O)OC
SPLASH splash10-0ue9-4971000000-7436f1d38ef1fab06e9b
Source of Spectrum AJ-59-2860-28
Synonyms 3-(2-Phenylethenylcarbonyl)-4,5-di(methoxycarbonyl)pyrazole Dimethyl 5-[(2E)-3-phenyl-2-propenoyl]-1H-pyrazole-3,4-dicarboxylate
Wiley ID 1314860