| SpectraBase Compound ID | 97KllAIXQlz |
|---|---|
| InChI | InChI=1S/C16H13NO4/c1-20-13-8-6-11(7-9-13)16-14(17(18)19)10-12-4-2-3-5-15(12)21-16/h2-10,16H,1H3 |
| InChIKey | VWHLPNCPVHZLQX-UHFFFAOYSA-N |
| Mol Weight | 283.28 g/mol |
| Molecular Formula | C16H13NO4 |
| Exact Mass | 283.084458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1650GlxpB3L |
|---|---|
| Name | 2-(4-Methoxyphenyl)-3-nitro-2H-1-benzopyran |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.084457899 u |
| Formula | C16H13NO4 |
| InChI | InChI=1S/C16H13NO4/c1-20-13-8-6-11(7-9-13)16-14(17(18)19)10-12-4-2-3-5-15(12)21-16/h2-10,16H,1H3 |
| InChIKey | VWHLPNCPVHZLQX-UHFFFAOYSA-N |
| SMILES | C=1(N(=O)=O)C(OC2=C(C1)C=CC=C2)C1=CC=C(C=C1)OC |