| SpectraBase Compound ID | 8H2Se1sjcQi |
|---|---|
| InChI | InChI=1S/C13H22/c1-2-3-10-13-11-8-6-4-5-7-9-12-13/h8H,2-7,9-10,12H2,1H3 |
| InChIKey | IIJUJDLSZXQDTD-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 | 7JhCwmdRDRC |
|---|---|
| Name | 1-Butylcyclonona-1,2-diene |
| 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/c1-2-3-10-13-11-8-6-4-5-7-9-12-13/h8H,2-7,9-10,12H2,1H3 |
| InChIKey | IIJUJDLSZXQDTD-UHFFFAOYSA-N |
| Molecular Weight | 178.319 g/mol |
| SMILES | C1(=C=CCCCCCC1)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962682 |