| SpectraBase Compound ID | LDXfkdfOXJS |
|---|---|
| InChI | InChI=1S/C9H7NO3/c1-5-3-2-4-6-7(5)8(11)13-9(12)10-6/h2-4H,1H3,(H,10,12) |
| InChIKey | KJBDXWPWJNDBOS-UHFFFAOYSA-N |
| Mol Weight | 177.16 g/mol |
| Molecular Formula | C9H7NO3 |
| Exact Mass | 177.042593 g/mol |
Raman Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 9srQAlv5ZQh |
|---|---|
| Name | 2H-3,1-Benzoxazine-2,4(1H)-dione, 5-methyl-; 5-methyl-2H-3,1-benzoxazine-2,4(1H)-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 177.042593086 u |
| Formula | C9H7NO3 |
| InChI | InChI=1S/C9H7NO3/c1-5-3-2-4-6-7(5)8(11)13-9(12)10-6/h2-4H,1H3,(H,10,12) |
| InChIKey | KJBDXWPWJNDBOS-UHFFFAOYSA-N |
| SMILES | N1C=2C=CC=C(C2C(OC1=O)=O)C |
| Spectrum/Structure Validation Score (Raman) | 0.847516 |