| SpectraBase Compound ID | FDXn2V4THN6 |
|---|---|
| InChI | InChI=1S/C7H9NO/c1-6-7(5-9)3-2-4-8-6/h2-4,9H,5H2,1H3 |
| InChIKey | PRMLMDSFLIHHSO-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 | AJ40FaDs36o |
|---|---|
| Name | 2-Methyl-3-hydroxymethyl pyridine |
| 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/c1-6-7(5-9)3-2-4-8-6/h2-4,9H,5H2,1H3 |
| InChIKey | PRMLMDSFLIHHSO-UHFFFAOYSA-N |
| Molecular Weight | 123.155 g/mol |
| SMILES | CC1=NC=CC=C1CO |
| Spectrum/Structure Validation Score (Raman) | 0.808007 |