| SpectraBase Compound ID | H2w7cl7wOwv |
|---|---|
| InChI | InChI=1S/C11H14O/c1-8-3-4-11-10(5-8)6-9(2)7-12-11/h3-5,9H,6-7H2,1-2H3 |
| InChIKey | BIERMQLMIZQKQE-UHFFFAOYSA-N |
| Mol Weight | 162.23 g/mol |
| Molecular Formula | C11H14O |
| Exact Mass | 162.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1vnSJj2JjC2 |
|---|---|
| Name | 3,6-Dimethylchroman |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 162.104465070 u |
| Formula | C11H14O |
| InChI | InChI=1S/C11H14O/c1-8-3-4-11-10(5-8)6-9(2)7-12-11/h3-5,9H,6-7H2,1-2H3 |
| InChIKey | BIERMQLMIZQKQE-UHFFFAOYSA-N |
| Molecular Weight | 162.232 g/mol |
| SMILES | C12=C(OCC(C2)C)C=CC(=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.974271 |