| SpectraBase Compound ID | AX7OohvKN0X |
|---|---|
| InChI | InChI=1S/C8H8N2O5/c11-8(5-9(12)13)6-1-3-7(4-2-6)10(14)15/h1-4,8,11H,5H2 |
| InChIKey | IBGLUMJSLYZZRX-UHFFFAOYSA-N |
| Mol Weight | 212.16 g/mol |
| Molecular Formula | C8H8N2O5 |
| Exact Mass | 212.043321 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | GedNX3NmNDh |
|---|---|
| Name | p-Nitro-A-(nitromethyl)benzyl alcohol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.043321361 u |
| Formula | C8H8N2O5 |
| InChI | InChI=1S/C8H8N2O5/c11-8(5-9(12)13)6-1-3-7(4-2-6)10(14)15/h1-4,8,11H,5H2 |
| InChIKey | IBGLUMJSLYZZRX-UHFFFAOYSA-N |
| Molecular Weight | 212.161 g/mol |
| SMILES | N(=O)(=O)CC(C=1C=CC(=CC1)N(=O)=O)O |
| Spectrum/Structure Validation Score (Raman) | 0.984846 |