| SpectraBase Compound ID | 1PTTpe0dBK1 |
|---|---|
| InChI | InChI=1S/C10H12O/c1-8-6-9-4-2-3-5-10(9)11-7-8/h2-5,8H,6-7H2,1H3 |
| InChIKey | YTJAYQWSYFTVKX-UHFFFAOYSA-N |
| Mol Weight | 148.2 g/mol |
| Molecular Formula | C10H12O |
| Exact Mass | 148.088815 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Kyz0FV7MiR7 |
|---|---|
| Name | 3-Methylchroman |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 148.088815005 u |
| Formula | C10H12O |
| InChI | InChI=1S/C10H12O/c1-8-6-9-4-2-3-5-10(9)11-7-8/h2-5,8H,6-7H2,1H3 |
| InChIKey | YTJAYQWSYFTVKX-UHFFFAOYSA-N |
| Molecular Weight | 148.205 g/mol |
| SMILES | C1=2OCC(CC2C=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.963901 |