![Ethyl bicyclo[4.1.0]heptene-5-ylacetate](/api/spectrum/6EJDM4QY0pc/structure.png?h=300&w=458 "Ethyl bicyclo[4.1.0]heptene-5-ylacetate")
| SpectraBase Compound ID | 8TkKsnzy08H |
|---|---|
| InChI | InChI=1S/C11H16O2/c1-2-13-11(12)7-9-5-3-4-8-6-10(8)9/h4,9-10H,2-3,5-7H2,1H3 |
| InChIKey | JYBLFSJOYNJPLS-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 | 6EJDM4QY0pc |
|---|---|
| Name | Ethyl bicyclo[4.1.0]heptene-5-ylacetate |
| 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/c1-2-13-11(12)7-9-5-3-4-8-6-10(8)9/h4,9-10H,2-3,5-7H2,1H3 |
| InChIKey | JYBLFSJOYNJPLS-UHFFFAOYSA-N |
| Molecular Weight | 180.247 g/mol |
| SMILES | C1=2C(C(CC(=O)OCC)CCC2)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.899836 |