| SpectraBase Compound ID | 1n3fPZ6g1X2 |
|---|---|
| InChI | InChI=1S/C14H11N3O2/c1-10-13-7-2-3-8-14(13)16(15-10)11-5-4-6-12(9-11)17(18)19/h2-9H,1H3 |
| InChIKey | CRSIFRAIZXAGMW-UHFFFAOYSA-N |
| Mol Weight | 253.26 g/mol |
| Molecular Formula | C14H11N3O2 |
| Exact Mass | 253.085127 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KXmNAwrQhBK |
|---|---|
| Name | 1H-Indazole, 3-methyl-1-(4-nitrophenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.085126604 u |
| Formula | C14H11N3O2 |
| InChI | InChI=1S/C14H11N3O2/c1-10-13-7-2-3-8-14(13)16(15-10)11-5-4-6-12(9-11)17(18)19/h2-9H,1H3 |
| InChIKey | CRSIFRAIZXAGMW-UHFFFAOYSA-N |
| Molecular Weight | 253.261 g/mol |
| SMILES | C12=C(C(=NN2C=2C=C(C=CC2)N(=O)=O)C)C=CC=C1 |