![1,3,5,6,7-Pentamethylbicyclo[3.2.0]hepta-2,6-diene](/api/spectrum/BGpmSre34db/structure.png?h=300&w=458 "1,3,5,6,7-Pentamethylbicyclo[3.2.0]hepta-2,6-diene")
| SpectraBase Compound ID | 1o4sGiADEP8 |
|---|---|
| InChI | InChI=1S/C12H18/c1-8-6-11(4)9(2)10(3)12(11,5)7-8/h6H,7H2,1-5H3 |
| InChIKey | WQSHQMMAEJBYAV-UHFFFAOYSA-N |
| Mol Weight | 162.28 g/mol |
| Molecular Formula | C12H18 |
| Exact Mass | 162.140851 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BGpmSre34db |
|---|---|
| Name | 1,3,5,6,7-Pentamethylbicyclo[3.2.0]hepta-2,6-diene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 162.140850580 u |
| Formula | C12H18 |
| InChI | InChI=1S/C12H18/c1-8-6-11(4)9(2)10(3)12(11,5)7-8/h6H,7H2,1-5H3 |
| InChIKey | WQSHQMMAEJBYAV-UHFFFAOYSA-N |
| Molecular Weight | 162.276 g/mol |
| SMILES | C12(CC(C)=CC2(C(=C1C)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.871933 |