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1-(4-Tetradecylbenzyl)-1H-pyrazole-3-carboxylic acid

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

1-(4-Tetradecylbenzyl)-1H-pyrazole-3-carboxylic acid
SpectraBase Compound ID 3iOdHj2kokX
InChI InChI=1S/C25H38N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-22-15-17-23(18-16-22)21-27-20-19-24(26-27)25(28)29/h15-20H,2-14,21H2,1H3,(H,28,29)
InChIKey IPUXNCMETOMHPQ-UHFFFAOYSA-N
Mol Weight 398.6 g/mol
Molecular Formula C25H38N2O2
Exact Mass 398.293328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7CK3hQYDtgA
Name 1-(4-Tetradecylbenzyl)-1H-pyrazole-3-carboxylic acid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H38N2O2
InChI InChI=1S/C25H38N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-22-15-17-23(18-16-22)21-27-20-19-24(26-27)25(28)29/h15-20H,2-14,21H2,1H3,(H,28,29)
InChIKey IPUXNCMETOMHPQ-UHFFFAOYSA-N
Molecular Weight 398.591 g/mol
SMILES OC(c1n[n](cc1)Cc1ccc(cc1)CCCCCCCCCCCCCC)=O
SPLASH splash10-0udj-0938000000-4b1d05dd63d73cbd0294
Source of Spectrum QC-24-1459-11
Wiley ID 1584248