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1H-Pyrazole-4,5-dicarboxylic acid, 1-methyl-3-phenyl-, diethyl ester
SpectraBase Compound ID HCWpYe4w4Pq
InChI InChI=1S/C16H18N2O4/c1-4-21-15(19)12-13(11-9-7-6-8-10-11)17-18(3)14(12)16(20)22-5-2/h6-10H,4-5H2,1-3H3
InChIKey APJGZZKCYGUCDY-UHFFFAOYSA-N
Mol Weight 302.33 g/mol
Molecular Formula C16H18N2O4
Exact Mass 302.126657 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7DBCR2HiA83
Name 1H-Pyrazole-4,5-dicarboxylic acid, 1-methyl-3-phenyl-, diethyl ester
Alternate Name(s) Diethyl 1-methyl-3-phenyl-1H-pyrazole-4,5-dicarboxylate Diethyl ester of 1-methyl-3-phenylpyrazol-4,5-dicarboxylic acid
CAS Registry Number 74641-66-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18N2O4
InChI InChI=1S/C16H18N2O4/c1-4-21-15(19)12-13(11-9-7-6-8-10-11)17-18(3)14(12)16(20)22-5-2/h6-10H,4-5H2,1-3H3
InChIKey APJGZZKCYGUCDY-UHFFFAOYSA-N
Molecular Weight 302.330 g/mol
SMILES c1(c([n](C)nc1-c1ccccc1)C(=O)OCC)C(=O)OCC
SPLASH splash10-0kdi-3095000000-ad0d0c7e6a8c9421db53
Source of Spectrum H-63-657-8
Wiley ID 1304555