Methyl 3-methyl-1-(4-methylbenzoyl)-5-(5-methylisoxazol-3-yl)-1H-pyrazole-4-carboxylate

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Systematic / IUPAC Name: Methyl 3-methyl-1-(4-methylbenzoyl)-5-(5-methyl-1,2-oxazol-3-yl)-1H-pyrazole-4-carboxylate

ID: Reference3872

Other Names: 1H-Pyrazole-4-carboxylic acid, 3-methyl-1-(4-methylbenzoyl)-5-(5-methyl-3-isoxazolyl)-, methyl ester

Formula: C18H17N3O4

Spectral Data

Methyl 3-methyl-1-(4-methylbenzoyl)-5-(5-methylisoxazol-3-yl)-1H-pyrazole-4-carboxylate 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 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/16/2016 9:19:36 AM
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Identificators

InChI InChI=1S/C18H17N3O4/c1-10-5-7-13(8-6-10)17(22)21-16(14-9-11(2)25-20-14)15(12(3)19-21)18(23)24-4/h5-9H,1-4H3
InChI Key PYPNEKJQGFOAJU-UHFFFAOYSA-N
Canonical SMILES CC1=CC=C(C=C1)C(=O)N2C(=C(C(=N2)C)C(=O)OC)C3=NOC(=C3)C
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Other Names 1H-Pyrazole-4-carboxylic acid, 3-methyl-1-(4-methylbenzoyl)-5-(5-methyl-3-isoxazolyl)-, methyl ester

In Other Databases

PubChem 2744663
ChemSpider 2026153