| SpectraBase Compound ID | KgsXmfmJL2g |
|---|---|
| InChI | InChI=1S/C7H9NO/c1-5-2-3-6(8)4-7(5)9/h2-4,9H,8H2,1H3 |
| InChIKey | DBFYESDCPWWCHN-UHFFFAOYSA-N |
| Mol Weight | 123.15 g/mol |
| Molecular Formula | C7H9NO |
| Exact Mass | 123.068414 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 6agvBZYsZOB |
|---|---|
| Name | 5-Amino-o-cresol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 123.068413913 u |
| Formula | C7H9NO |
| InChI | InChI=1S/C7H9NO/c1-5-2-3-6(8)4-7(5)9/h2-4,9H,8H2,1H3 |
| InChIKey | DBFYESDCPWWCHN-UHFFFAOYSA-N |
| Molecular Weight | 123.155 g/mol |
| SMILES | NC=1C=CC(=C(C1)O)C |
| Spectrum/Structure Validation Score (Raman) | 0.956245 |