| SpectraBase Compound ID | 46Db9VlFI4T |
|---|---|
| InChI | InChI=1S/C10H7NO5/c1-5-2-10(13)16-9-4-8(12)7(11(14)15)3-6(5)9/h2-4,12H,1H3 |
| InChIKey | DPLGBPYLXGFDJY-UHFFFAOYSA-N |
| Mol Weight | 221.17 g/mol |
| Molecular Formula | C10H7NO5 |
| Exact Mass | 221.032422 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8PiVuetoFNY |
|---|---|
| Name | 7-Hydroxy-4-methyl-6-nitrocoumarin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.032422324 u |
| Formula | C10H7NO5 |
| InChI | InChI=1S/C10H7NO5/c1-5-2-10(13)16-9-4-8(12)7(11(14)15)3-6(5)9/h2-4,12H,1H3 |
| InChIKey | DPLGBPYLXGFDJY-UHFFFAOYSA-N |
| Molecular Weight | 221.168 g/mol |
| SMILES | OC=1C(=CC=2C(=CC(OC2C1)=O)C)N(=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.972517 |