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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FPBZ8uSdrhj
Name 1-(4-Tetradecylbenzyl)-1H-pyrazole-3-carboxylic acid
Comments Computed using HOSE algorithm
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Exact Mass 398.293328470 u
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 C1(=NN(C=C1)CC=1C=CC(=CC1)CCCCCCCCCCCCCC)C(=O)O