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1H-Pyrazole-5-carboxylic acid, 3-(benzoyloxy)-1-methyl-, methyl ester
SpectraBase Compound ID 4NRTAIIUpKo
InChI InChI=1S/C13H12N2O4/c1-15-10(13(17)18-2)8-11(14-15)19-12(16)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKey VRJZXRMPPWNFDN-UHFFFAOYSA-N
Mol Weight 260.25 g/mol
Molecular Formula C13H12N2O4
Exact Mass 260.079707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CniQcTx7iZe
Name 1H-Pyrazole-5-carboxylic acid, 3-(benzoyloxy)-1-methyl-, methyl ester
Alternate Name(s) Methyl 3-(benzoyloxy)-1-methyl-1H-pyrazole-5-carboxylate Methyl ester of 3-benzoyloxy-1-methyl-5-pyrazolcarboxylic acid
CAS Registry Number 66190-46-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12N2O4
InChI InChI=1S/C13H12N2O4/c1-15-10(13(17)18-2)8-11(14-15)19-12(16)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKey VRJZXRMPPWNFDN-UHFFFAOYSA-N
Molecular Weight 260.249 g/mol
SMILES c1([n](nc(c1)OC(=O)c1ccccc1)C)C(=O)OC
SPLASH splash10-0a4i-0920000000-097c13199ed29538d61d
Source of Spectrum K-111-786-0
Wiley ID 1263496