| SpectraBase Compound ID | 21pDRs9NgH8 |
|---|---|
| InChI | InChI=1S/C7H7NO3/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4,9H,1H3 |
| InChIKey | PIIZYNQECPTVEO-UHFFFAOYSA-N |
| Mol Weight | 153.14 g/mol |
| Molecular Formula | C7H7NO3 |
| Exact Mass | 153.042593 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | KXRpQffLjbU |
|---|---|
| Name | 4-Nitro-m-cresol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 153.042593086 u |
| Formula | C7H7NO3 |
| InChI | InChI=1S/C7H7NO3/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4,9H,1H3 |
| InChIKey | PIIZYNQECPTVEO-UHFFFAOYSA-N |
| Molecular Weight | 153.137 g/mol |
| Nominal Mass | 153 u |
| SMILES | OC=1C=CC(=C(C1)C)N(=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.976563 |