| SpectraBase Compound ID | 8M5N0PAa4HU |
|---|---|
| InChI | InChI=1S/C10H12O2/c1-11-9-4-5-10-8(7-9)3-2-6-12-10/h4-5,7H,2-3,6H2,1H3 |
| InChIKey | GIKMYBNGVOXIJU-UHFFFAOYSA-N |
| Mol Weight | 164.2 g/mol |
| Molecular Formula | C10H12O2 |
| Exact Mass | 164.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4KT1w60wzP8 |
|---|---|
| Name | 6-Chromanol, methyl ether |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.083729624 u |
| Formula | C10H12O2 |
| InChI | InChI=1S/C10H12O2/c1-11-9-4-5-10-8(7-9)3-2-6-12-10/h4-5,7H,2-3,6H2,1H3 |
| InChIKey | GIKMYBNGVOXIJU-UHFFFAOYSA-N |
| Molecular Weight | 164.204 g/mol |
| SMILES | COC1=CC2=C(OCCC2)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959688 |