| SpectraBase Compound ID | HCAqgpGuvjd |
|---|---|
| InChI | InChI=1S/C10H9NO3/c1-7-9(11(12)13)6-8-4-2-3-5-10(8)14-7/h2-7H,1H3 |
| InChIKey | OVCYGDUUGRVRON-UHFFFAOYSA-N |
| Mol Weight | 191.19 g/mol |
| Molecular Formula | C10H9NO3 |
| Exact Mass | 191.058243 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GAub5gfXxyp |
|---|---|
| Name | 2-Methyl-3-nitro-2H-1-benzopyran |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.058243151 u |
| Formula | C10H9NO3 |
| InChI | InChI=1S/C10H9NO3/c1-7-9(11(12)13)6-8-4-2-3-5-10(8)14-7/h2-7H,1H3 |
| InChIKey | OVCYGDUUGRVRON-UHFFFAOYSA-N |
| Molecular Weight | 191.186 g/mol |
| SMILES | C1(N(=O)=O)=CC=2C=CC=CC2OC1C |