| SpectraBase Compound ID | BjeCo7AQynw |
|---|---|
| InChI | InChI=1S/C13H16/c1-11(2)9-10-12(3)13-7-5-4-6-8-13/h4-8H,1,3,9-10H2,2H3 |
| InChIKey | ABJJUWWHFWJAMZ-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 | L2U2glz3nXj |
|---|---|
| Name | (4-Methyl-1-methylenepent-4-enyl)benzene |
| 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/c1-11(2)9-10-12(3)13-7-5-4-6-8-13/h4-8H,1,3,9-10H2,2H3 |
| InChIKey | ABJJUWWHFWJAMZ-UHFFFAOYSA-N |
| Molecular Weight | 172.271 g/mol |
| SMILES | C1=CC(C(CCC(=C)C)=C)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.949046 |