| SpectraBase Compound ID | FX672T8EX7U |
|---|---|
| InChI | InChI=1S/C6H5NO4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,8-9H |
| InChIKey | YHKWFDPEASWKFQ-UHFFFAOYSA-N |
| Mol Weight | 155.11 g/mol |
| Molecular Formula | C6H5NO4 |
| Exact Mass | 155.021858 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 2NSGWJAIGQI |
|---|---|
| Name | 3-Nitropyrocatechol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 155.021857641 u |
| Formula | C6H5NO4 |
| InChI | InChI=1S/C6H5NO4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,8-9H |
| InChIKey | YHKWFDPEASWKFQ-UHFFFAOYSA-N |
| Molecular Weight | 155.109 g/mol |
| SMILES | OC=1C(=CC=CC1N(=O)=O)O |
| Spectrum/Structure Validation Score (Raman) | 0.981713 |