| SpectraBase Compound ID | JEQh1mGBTvZ |
|---|---|
| InChI | InChI=1S/C11H16O2/c1-9-5-3-4-6-10(7-9)8-11(12)13-2/h3-6,9-10H,7-8H2,1-2H3 |
| InChIKey | XMTDHLHASATSEF-UHFFFAOYSA-N |
| Mol Weight | 180.25 g/mol |
| Molecular Formula | C11H16O2 |
| Exact Mass | 180.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1Z7WpP7pzfW |
|---|---|
| Name | Methyl 6-methylcyclohepta-2,4-dienylacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.115029753 u |
| Formula | C11H16O2 |
| InChI | InChI=1S/C11H16O2/c1-9-5-3-4-6-10(7-9)8-11(12)13-2/h3-6,9-10H,7-8H2,1-2H3 |
| InChIKey | XMTDHLHASATSEF-UHFFFAOYSA-N |
| Molecular Weight | 180.247 g/mol |
| SMILES | C(=O)(CC1C=CC=CC(C1)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.903068 |