| SpectraBase Compound ID | AVR3eqT0b1e |
|---|---|
| InChI | InChI=1S/C18H32/c1-2-4-6-8-10-12-14-16-18-17-15-13-11-9-7-5-3-1/h1-2,17-18H,3-16H2/b2-1-,18-17- |
| InChIKey | KXXOJVLQQUSGEJ-JJWBDKDVSA-N |
| Mol Weight | 248.5 g/mol |
| Molecular Formula | C18H32 |
| Exact Mass | 248.250401 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9Wvbn8Dh47m |
|---|---|
| Name | Cyclooctadeca-1,10-diene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.250401030 u |
| Formula | C18H32 |
| InChI | InChI=1S/C18H32/c1-2-4-6-8-10-12-14-16-18-17-15-13-11-9-7-5-3-1/h1-2,17-18H,3-16H2/b2-1-,18-17- |
| InChIKey | KXXOJVLQQUSGEJ-JJWBDKDVSA-N |
| Molecular Weight | 248.454 g/mol |
| SMILES | C1\C=C/CCCCCCC\C=C/CCCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96312 |