3-Methyl-1-phenyl-1H-5-pyrazolyl benzoate

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Systematic / IUPAC Name: 3-Methyl-1-phenyl-1H-pyrazol-5-yl benzoate

ID: Reference6953

Other Names: Benzoic acid 5-methyl-2-phenyl-2H-pyrazol-3-yl ester

Formula: C17H14N2O2

Spectral Data

3-Methyl-1-phenyl-1H-5-pyrazolyl benzoate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/23/2017 10:57:19 AM
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Identificators

InChI InChI=1S/C17H14N2O2/c1-13-12-16(19(18-13)15-10-6-3-7-11-15)21-17(20)14-8-4-2-5-9-14/h2-12H,1H3
InChI Key YVVNCZNGWZHOGZ-UHFFFAOYSA-N
Canonical SMILES CC1=NN(C(=C1)OC(=O)C2=CC=CC=C2)C3=CC=CC=C3
CAS
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Other Names Benzoic acid 5-methyl-2-phenyl-2H-pyrazol-3-yl ester

In Other Databases

ChemSpider 495189
PubChem 569570