| SpectraBase Compound ID | EbY0Rp3vhux |
|---|---|
| InChI | InChI=1S/C14H12N4O/c1-10-4-2-3-5-12(10)16-14-18-17-13(19-14)11-6-8-15-9-7-11/h2-9H,1H3,(H,16,18) |
| InChIKey | BWTXZVKZZUJDCU-UHFFFAOYSA-N |
| Mol Weight | 252.28 g/mol |
| Molecular Formula | C14H12N4O |
| Exact Mass | 252.101111 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LFDH1ZywxzC |
|---|---|
| Name | N-(2-Methylphenyl)-5-(pyridin-4-yl)-1,3,4-oxadiazol-2-amine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.101111021 u |
| Formula | C14H12N4O |
| InChI | InChI=1S/C14H12N4O/c1-10-4-2-3-5-12(10)16-14-18-17-13(19-14)11-6-8-15-9-7-11/h2-9H,1H3,(H,16,18) |
| InChIKey | BWTXZVKZZUJDCU-UHFFFAOYSA-N |
| Molecular Weight | 252.277 g/mol |
| SMILES | C=1(OC(=NN1)C=1C=CN=CC1)NC=1C(C)=CC=CC1 |