| SpectraBase Compound ID | ADFuh2WX3Ww |
|---|---|
| InChI | InChI=1S/C9H8N2O4/c12-8-9(13,5-11(14)15)6-3-1-2-4-7(6)10-8/h1-4,13H,5H2,(H,10,12) |
| InChIKey | LXHQTPGTMXKWEY-UHFFFAOYSA-N |
| Mol Weight | 208.17 g/mol |
| Molecular Formula | C9H8N2O4 |
| Exact Mass | 208.048407 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | FUH7cLgy8M7 |
|---|---|
| Name | 3-Hydroxy-3-(nitromethyl)-2-indolinone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.048406742 u |
| Formula | C9H8N2O4 |
| InChI | InChI=1S/C9H8N2O4/c12-8-9(13,5-11(14)15)6-3-1-2-4-7(6)10-8/h1-4,13H,5H2,(H,10,12) |
| InChIKey | LXHQTPGTMXKWEY-UHFFFAOYSA-N |
| SMILES | N1C(C(C=2C=CC=CC12)(CN(=O)=O)O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.936499 |