| SpectraBase Compound ID | 7LfRmCMF2sq |
|---|---|
| InChI | InChI=1S/C18H17N3O/c1-3-7-15(8-4-1)13-21-17-18(20-12-11-19-17)22-14-16-9-5-2-6-10-16/h1-12H,13-14H2,(H,19,21) |
| InChIKey | PJNBPZSSZFETDG-UHFFFAOYSA-N |
| Mol Weight | 291.35 g/mol |
| Molecular Formula | C18H17N3O |
| Exact Mass | 291.137162 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FDlgxpgnWty |
|---|---|
| Name | Pyrazinamine, 3-(phenylmethoxy)-N-(phenylmethyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.137162178 u |
| Formula | C18H17N3O |
| InChI | InChI=1S/C18H17N3O/c1-3-7-15(8-4-1)13-21-17-18(20-12-11-19-17)22-14-16-9-5-2-6-10-16/h1-12H,13-14H2,(H,19,21) |
| InChIKey | PJNBPZSSZFETDG-UHFFFAOYSA-N |
| SMILES | C=1(C(=NC=CN1)OCC1=CC=CC=C1)NCC=1C=CC=CC1 |