![1-Phenyl-3-methyl-bicyclo-[1.1.1]-pentane](/api/spectrum/E3efSlFJM3z/structure.png?h=300&w=458 "1-Phenyl-3-methyl-bicyclo-[1.1.1]-pentane")
| SpectraBase Compound ID | HZDLK5u8AD8 |
|---|---|
| InChI | InChI=1S/C12H14/c1-11-7-12(8-11,9-11)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3 |
| InChIKey | LCPALOWHSUZNCF-UHFFFAOYSA-N |
| Mol Weight | 158.24 g/mol |
| Molecular Formula | C12H14 |
| Exact Mass | 158.10955 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | E3efSlFJM3z |
|---|---|
| Name | 1-Phenyl-3-methyl-bicyclo-[1.1.1]-pentane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.109550451 u |
| Formula | C12H14 |
| InChI | InChI=1S/C12H14/c1-11-7-12(8-11,9-11)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3 |
| InChIKey | LCPALOWHSUZNCF-UHFFFAOYSA-N |
| Molecular Weight | 158.244 g/mol |
| SMILES | C=1C(C23CC(C3)(C2)C)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.908269 |