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2-(3,5-Dimethyl-1-pyrazolyl)-5-phenyl-4-thiazolecarboxylic acid methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-(3,5-Dimethyl-1-pyrazolyl)-5-phenyl-4-thiazolecarboxylic acid methyl ester
SpectraBase Compound ID LNqPi7ohm12
InChI InChI=1S/C16H15N3O2S/c1-10-9-11(2)19(18-10)16-17-13(15(20)21-3)14(22-16)12-7-5-4-6-8-12/h4-9H,1-3H3
InChIKey QGBDDXCEGVFRJM-UHFFFAOYSA-N
Mol Weight 313.38 g/mol
Molecular Formula C16H15N3O2S
Exact Mass 313.088498 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ErD8pcrIuBv
Name 2-(3,5-Dimethyl-1-pyrazolyl)-5-phenyl-4-thiazolecarboxylic acid methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 313.088497907 u
Formula C16H15N3O2S
InChI InChI=1S/C16H15N3O2S/c1-10-9-11(2)19(18-10)16-17-13(15(20)21-3)14(22-16)12-7-5-4-6-8-12/h4-9H,1-3H3
InChIKey QGBDDXCEGVFRJM-UHFFFAOYSA-N
Molecular Weight 313.375 g/mol
SMILES C1(=NC(C(=O)OC)=C(S1)C=1C=CC=CC1)N1N=C(C)C=C1C