| SpectraBase Compound ID | A2IBktQKBBb |
|---|---|
| InChI | InChI=1S/C11H16O/c1-11-7-4-2-3-5-9(11)10(12)6-8-11/h2-3,9H,4-8H2,1H3 |
| InChIKey | DZAREWQQQJVIHU-UHFFFAOYSA-N |
| Mol Weight | 164.25 g/mol |
| Molecular Formula | C11H16O |
| Exact Mass | 164.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FzyFyTsDwQG |
|---|---|
| Name | 3A-Methyl-3,3A,4,5,8,8A-hexahydro-2H-azulen-1-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.120115134 u |
| Formula | C11H16O |
| InChI | InChI=1S/C11H16O/c1-11-7-4-2-3-5-9(11)10(12)6-8-11/h2-3,9H,4-8H2,1H3 |
| InChIKey | DZAREWQQQJVIHU-UHFFFAOYSA-N |
| Molecular Weight | 164.248 g/mol |
| SMILES | C12(C(C(=O)CC2)CC=CCC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.961227 |