For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

1H-Pyrazole-3-acetic acid, 4-(diphenylmethyl)-5-methyl-.alpha.-2-propenyl-, methyl ester

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

1H-Pyrazole-3-acetic acid, 4-(diphenylmethyl)-5-methyl-.alpha.-2-propenyl-, methyl ester
SpectraBase Compound ID I3YPGArJG0R
InChI InChI=1S/C23H24N2O2/c1-4-11-19(23(26)27-3)22-20(16(2)24-25-22)21(17-12-7-5-8-13-17)18-14-9-6-10-15-18/h4-10,12-15,19,21H,1,11H2,2-3H3,(H,24,25)
InChIKey XKPOOCJXCVEUBC-UHFFFAOYSA-N
Mol Weight 360.46 g/mol
Molecular Formula C23H24N2O2
Exact Mass 360.183778 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID DxJTNhNerZY
Name 1H-Pyrazole-3-acetic acid, 4-(diphenylmethyl)-5-methyl-.alpha.-2-propenyl-, methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.183778019 u
Formula C23H24N2O2
InChI InChI=1S/C23H24N2O2/c1-4-11-19(23(26)27-3)22-20(16(2)24-25-22)21(17-12-7-5-8-13-17)18-14-9-6-10-15-18/h4-10,12-15,19,21H,1,11H2,2-3H3,(H,24,25)
InChIKey XKPOOCJXCVEUBC-UHFFFAOYSA-N
Molecular Weight 360.457 g/mol
SMILES C=1(C(=C(C)NN1)C(C1=CC=CC=C1)C=1C=CC=CC1)C(C(=O)OC)CC=C