| SpectraBase Compound ID | IoCu37WNrey |
|---|---|
| InChI | InChI=1S/C9H7NO3/c1-5-3-2-4-6-7(5)10-9(12)13-8(6)11/h2-4H,1H3,(H,10,12) |
| InChIKey | CHKUQVBJPDLANA-UHFFFAOYSA-N |
| Mol Weight | 177.16 g/mol |
| Molecular Formula | C9H7NO3 |
| Exact Mass | 177.042593 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | GqhKx4lk4B4 |
|---|---|
| Name | 2H-3,1-Benzoxazine-2,4(1H)-dione, 8-methyl- |
| 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)10-9(12)13-8(6)11/h2-4H,1H3,(H,10,12) |
| InChIKey | CHKUQVBJPDLANA-UHFFFAOYSA-N |
| SMILES | N1C=2C(=CC=CC2C(OC1=O)=O)C |
| Spectrum/Structure Validation Score (Raman) | 0.764348 |