| SpectraBase Compound ID | AbdqNDiblLw |
|---|---|
| InChI | InChI=1S/C7H12O/c1-7-4-2-3-5-8-6-7/h2,4,7H,3,5-6H2,1H3 |
| InChIKey | UDTDRTUAALKRMI-UHFFFAOYSA-N |
| Mol Weight | 112.17 g/mol |
| Molecular Formula | C7H12O |
| Exact Mass | 112.088815 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | EYTbD6fGK31 |
|---|---|
| Name | 3-Methyl-2,3,6,7-tetrahydrooxepin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 112.088815005 u |
| Formula | C7H12O |
| InChI | InChI=1S/C7H12O/c1-7-4-2-3-5-8-6-7/h2,4,7H,3,5-6H2,1H3 |
| InChIKey | UDTDRTUAALKRMI-UHFFFAOYSA-N |
| Molecular Weight | 112.172 g/mol |
| SMILES | C1OCCC=CC1C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.974864 |