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5-(Benzo[D][1,3]dioxol-5-yl)-3-p-tolyl-4,5-dihydro-1hpyrazole-1-carbaldehyde

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

5-(Benzo[D][1,3]dioxol-5-yl)-3-p-tolyl-4,5-dihydro-1hpyrazole-1-carbaldehyde
SpectraBase Compound ID BzvLSOVNEIZ
InChI InChI=1S/C18H16N2O3/c1-12-2-4-13(5-3-12)15-9-16(20(10-21)19-15)14-6-7-17-18(8-14)23-11-22-17/h2-8,10,16H,9,11H2,1H3
InChIKey SIBKLHIIYGGRCJ-UHFFFAOYSA-N
Mol Weight 308.34 g/mol
Molecular Formula C18H16N2O3
Exact Mass 308.116092 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 96dReNEf79Y
Name 5-(Benzo[D][1,3]dioxol-5-yl)-3-p-tolyl-4,5-dihydro-1hpyrazole-1-carbaldehyde
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.116092380 u
Formula C18H16N2O3
InChI InChI=1S/C18H16N2O3/c1-12-2-4-13(5-3-12)15-9-16(20(10-21)19-15)14-6-7-17-18(8-14)23-11-22-17/h2-8,10,16H,9,11H2,1H3
InChIKey SIBKLHIIYGGRCJ-UHFFFAOYSA-N
Molecular Weight 308.337 g/mol
SMILES C=1C=2OCOC2C=CC1C1CC(C2=CC=C(C=C2)C)=NN1C=O