| SpectraBase Compound ID | 6Z3rYjwa2Yy |
|---|---|
| InChI | InChI=1S/C14H18/c1-6-7-8-14-12(4)10(2)9-11(3)13(14)5/h6,8-9H,1-5H3 |
| InChIKey | CCMKXWPZNSKTMQ-UHFFFAOYSA-N |
| Mol Weight | 186.3 g/mol |
| Molecular Formula | C14H18 |
| Exact Mass | 186.140851 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CYyvWDNw22Y |
|---|---|
| Name | Benzene, 3-(1,2-butadienyl)-1,2,4,5-tetramethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.140850580 u |
| Formula | C14H18 |
| InChI | InChI=1S/C14H18/c1-6-7-8-14-12(4)10(2)9-11(3)13(14)5/h6,8-9H,1-5H3 |
| InChIKey | CCMKXWPZNSKTMQ-UHFFFAOYSA-N |
| Molecular Weight | 186.298 g/mol |
| SMILES | C=1(C(=C(C)C=C(C1C)C)C)C=C=CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971065 |