| SpectraBase Compound ID | DzeTujwWayX |
|---|---|
| InChI | InChI=1S/C11H18/c1-4-8-5-6-9-7-10(8)11(9,2)3/h4,9-10H,5-7H2,1-3H3/b8-4+ |
| InChIKey | DWCCJLJPVSWYNL-XBXARRHUSA-N |
| Mol Weight | 150.26 g/mol |
| Molecular Formula | C11H18 |
| Exact Mass | 150.140851 g/mol |
| SpectraBase Spectrum ID | 3QVcL8dTP1T |
|---|---|
| Name | Bicyclo[3.1.1]heptane, 2-ethylidene-6,6-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 150.140850580 u |
| Formula | C11H18 |
| InChI | InChI=1S/C11H18/c1-4-8-5-6-9-7-10(8)11(9,2)3/h4,9-10H,5-7H2,1-3H3/b8-4+ |
| InChIKey | DWCCJLJPVSWYNL-XBXARRHUSA-N |
| Molecular Weight | 150.265 g/mol |
| SMILES | C12C(C)(C)C(C2)CC\C1=C\C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960583 |