![Bicyclo[4.1.0]heptane, 7-(1-methylenepentyl)-](/api/spectrum/81J33Jts76J/structure.png?h=300&w=458 "Bicyclo[4.1.0]heptane, 7-(1-methylenepentyl)-")
| SpectraBase Compound ID | GoQRzIN7hrx |
|---|---|
| InChI | InChI=1S/C13H22/c1-3-4-7-10(2)13-11-8-5-6-9-12(11)13/h11-13H,2-9H2,1H3 |
| InChIKey | NWEGZXVMCNCMCO-UHFFFAOYSA-N |
| Mol Weight | 178.32 g/mol |
| Molecular Formula | C13H22 |
| Exact Mass | 178.172151 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 81J33Jts76J |
|---|---|
| Name | Bicyclo[4.1.0]heptane, 7-(1-methylenepentyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.172150708 u |
| Formula | C13H22 |
| InChI | InChI=1S/C13H22/c1-3-4-7-10(2)13-11-8-5-6-9-12(11)13/h11-13H,2-9H2,1H3 |
| InChIKey | NWEGZXVMCNCMCO-UHFFFAOYSA-N |
| Molecular Weight | 178.319 g/mol |
| SMILES | C12C(CCCC2)C1C(=C)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.887384 |