| SpectraBase Compound ID | BJ2pkIrPRHK |
|---|---|
| InChI | InChI=1S/C18H15N3O2/c1-22-14-7-3-12(4-8-14)17-16(11-19)18(21-20-17)13-5-9-15(23-2)10-6-13/h3-10H,1-2H3,(H,20,21) |
| InChIKey | TWSPWXIWQLACLE-UHFFFAOYSA-N |
| Mol Weight | 305.34 g/mol |
| Molecular Formula | C18H15N3O2 |
| Exact Mass | 305.116427 g/mol |
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 | 9eeAe3K5DKR |
|---|---|
| Name | 3,5-bis(4-Methoxyphenyl)-1H-pyrazole-4-carbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.116426733 u |
| Formula | C18H15N3O2 |
| InChI | InChI=1S/C18H15N3O2/c1-22-14-7-3-12(4-8-14)17-16(11-19)18(21-20-17)13-5-9-15(23-2)10-6-13/h3-10H,1-2H3,(H,20,21) |
| InChIKey | TWSPWXIWQLACLE-UHFFFAOYSA-N |
| Molecular Weight | 305.337 g/mol |
| SMILES | C1(=NNC(=C1C#N)C=1C=CC(=CC1)OC)C=1C=CC(=CC1)OC |