| SpectraBase Compound ID | By7xMpRIfWI |
|---|---|
| InChI | InChI=1S/C22H34/c1-2-4-6-8-12-20-13-9-10-14-22(20)21-17-15-19(16-18-21)11-7-5-3-1/h15-18,20,22H,1-14H2 |
| InChIKey | GFKYGFZCRIBUDX-UHFFFAOYSA-N |
| Mol Weight | 298.5 g/mol |
| Molecular Formula | C22H34 |
| Exact Mass | 298.266051 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CZhYMDS4hLv |
|---|---|
| Name | (4Aalpha,18AALPHA)-1,2,3,4,4A,9,10,11,12,13,14,15,16,17,18,18A-hexadecahydro-5,8-ethenobenzocyclohexadecene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.266051095 u |
| Formula | C22H34 |
| InChI | InChI=1S/C22H34/c1-2-4-6-8-12-20-13-9-10-14-22(20)21-17-15-19(16-18-21)11-7-5-3-1/h15-18,20,22H,1-14H2 |
| InChIKey | GFKYGFZCRIBUDX-UHFFFAOYSA-N |
| SMILES | C1=C2C=CC(=C1)CCCCCCCCCCC1C2CCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.930457 |