| SpectraBase Compound ID | 5jlO3tmC1vt |
|---|---|
| InChI | InChI=1S/C20H34/c1-17(2)13-7-9-15(17)19(5,11-13)20(6)12-14-8-10-16(20)18(14,3)4/h13-16H,7-12H2,1-6H3/t13-,14+,15-,16+,19+,20- |
| InChIKey | KPQHYWRCNYBLPP-AQMNOWNJSA-N |
| Mol Weight | 274.5 g/mol |
| Molecular Formula | C20H34 |
| Exact Mass | 274.266051 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7VQbeeehud4 |
|---|---|
| Name | 2-(Fench-2-yl)fenchane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.266051095 u |
| Formula | C20H34 |
| InChI | InChI=1S/C20H34/c1-17(2)13-7-9-15(17)19(5,11-13)20(6)12-14-8-10-16(20)18(14,3)4/h13-16H,7-12H2,1-6H3/t13-,14+,15-,16+,19+,20- |
| InChIKey | KPQHYWRCNYBLPP-AQMNOWNJSA-N |
| Molecular Weight | 274.492 g/mol |
| SMILES | C1[C@@]([C@@]2(CC[C@]1(C2(C)C)[H])[H])([C@]1([C@]2(CC[C@@](C1)(C2(C)C)[H])[H])C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.975458 |