| SpectraBase Compound ID | Bg2dRyMbLjm |
|---|---|
| InChI | InChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h5,7H,3-4,6,8-18H2,1-2H3/b7-5+ |
| InChIKey | OCKCCFAPMYQFLZ-FNORWQNLSA-N |
| Mol Weight | 252.5 g/mol |
| Molecular Formula | C18H36 |
| Exact Mass | 252.281701 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6SaMIW2CA1d |
|---|---|
| Name | 3-Octadecene, (E)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.281701159 u |
| Formula | C18H36 |
| InChI | InChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h5,7H,3-4,6,8-18H2,1-2H3/b7-5+ |
| InChIKey | OCKCCFAPMYQFLZ-FNORWQNLSA-N |
| Molecular Weight | 252.486 g/mol |
| SMILES | C(CCCCCCCCC)CCCC\C=C\CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.929097 |