| SpectraBase Compound ID | Daea13fPkle |
|---|---|
| InChI | InChI=1S/C14H11N3O2/c18-17(19)14-8-9-16(15-14)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-9H,10H2 |
| InChIKey | ZPGNSUWFYDMOTK-UHFFFAOYSA-N |
| Mol Weight | 253.26 g/mol |
| Molecular Formula | C14H11N3O2 |
| Exact Mass | 253.085127 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HnECumqTDbj |
|---|---|
| Name | 1H-Pyrazole, 1-(1-naphthalenylmethyl)-3-nitro- |
| 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/c18-17(19)14-8-9-16(15-14)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-9H,10H2 |
| InChIKey | ZPGNSUWFYDMOTK-UHFFFAOYSA-N |
| Molecular Weight | 253.261 g/mol |
| SMILES | C1=C2C(=C(C=C1)CN1N=C(C=C1)N(=O)=O)C=CC=C2 |