| SpectraBase Compound ID | 9f4zaTIPU50 |
|---|---|
| InChI | InChI=1S/C8H4N2O5/c11-7-5-3-4(10(13)14)1-2-6(5)9-8(12)15-7/h1-3H,(H,9,12) |
| InChIKey | WWUBAHSWMPFIQZ-UHFFFAOYSA-N |
| Mol Weight | 208.13 g/mol |
| Molecular Formula | C8H4N2O5 |
| Exact Mass | 208.012021 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8LhINZVmCox |
|---|---|
| Name | 6-Nitro-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 | 208.012021232 u |
| Formula | C8H4N2O5 |
| InChI | InChI=1S/C8H4N2O5/c11-7-5-3-4(10(13)14)1-2-6(5)9-8(12)15-7/h1-3H,(H,9,12) |
| InChIKey | WWUBAHSWMPFIQZ-UHFFFAOYSA-N |
| Molecular Weight | 208.129 g/mol |
| SMILES | C1=C(C=CC2=C1C(=O)OC(=O)N2)N(=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.981023 |