| SpectraBase Compound ID | 2gjNMQC7SHh |
|---|---|
| InChI | InChI=1S/C11H14O2/c1-8-5-9-6-10(12-2)3-4-11(9)13-7-8/h3-4,6,8H,5,7H2,1-2H3 |
| InChIKey | IHSOZYUYPQOPHV-UHFFFAOYSA-N |
| Mol Weight | 178.23 g/mol |
| Molecular Formula | C11H14O2 |
| Exact Mass | 178.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GijmsS2xrAA |
|---|---|
| Name | 3-Methyl-6-methoxychroman |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.099379689 u |
| Formula | C11H14O2 |
| InChI | InChI=1S/C11H14O2/c1-8-5-9-6-10(12-2)3-4-11(9)13-7-8/h3-4,6,8H,5,7H2,1-2H3 |
| InChIKey | IHSOZYUYPQOPHV-UHFFFAOYSA-N |
| Molecular Weight | 178.231 g/mol |
| SMILES | C12=C(OCC(C2)C)C=CC(=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948932 |