| SpectraBase Compound ID | 9UHXqB5vzTG |
|---|---|
| InChI | InChI=1S/C14H24/c1-13(2,3)11-8-7-9-12(10-11)14(4,5)6/h7-9,11H,10H2,1-6H3 |
| InChIKey | BLMYYDMYKZGIPD-UHFFFAOYSA-N |
| Mol Weight | 192.35 g/mol |
| Molecular Formula | C14H24 |
| Exact Mass | 192.187801 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ItwkdzW91Wx |
|---|---|
| Name | 1,5-Ditert-butylcyclohexa-1,3-diene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.187800773 u |
| Formula | C14H24 |
| InChI | InChI=1S/C14H24/c1-13(2,3)11-8-7-9-12(10-11)14(4,5)6/h7-9,11H,10H2,1-6H3 |
| InChIKey | BLMYYDMYKZGIPD-UHFFFAOYSA-N |
| Molecular Weight | 192.346 g/mol |
| SMILES | C=1(CC(C(C)(C)C)C=CC1)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.967227 |