| SpectraBase Compound ID | Hn2PN3ccIFf |
|---|---|
| InChI | InChI=1S/C13H16/c1-13(2,3)11-7-10-12-8-5-4-6-9-12/h4-6,8-11H,1-3H3 |
| InChIKey | WLFZZBCFHRQUDI-UHFFFAOYSA-N |
| Mol Weight | 172.27 g/mol |
| Molecular Formula | C13H16 |
| Exact Mass | 172.125201 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KcbLjxC2xYz |
|---|---|
| Name | 4,4-Dimethylpenta-1,2-dienylbenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.125200515 u |
| Formula | C13H16 |
| InChI | InChI=1S/C13H16/c1-13(2,3)11-7-10-12-8-5-4-6-9-12/h4-6,8-11H,1-3H3 |
| InChIKey | WLFZZBCFHRQUDI-UHFFFAOYSA-N |
| Molecular Weight | 172.271 g/mol |
| SMILES | CC(C=C=CC1=CC=CC=C1)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.953749 |