| SpectraBase Compound ID | Ajj6JD1wDrT |
|---|---|
| InChI | InChI=1S/C11H12/c1-3-7-10(2)11-8-5-4-6-9-11/h3-9H,1H2,2H3/b10-7+ |
| InChIKey | HETLRQLNJZNYFU-JXMROGBWSA-N |
| Mol Weight | 144.22 g/mol |
| Molecular Formula | C11H12 |
| Exact Mass | 144.0939 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2oGNbiHb4mU |
|---|---|
| Name | (1-Methylbuta-1,3-dienyl)benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 144.093900386 u |
| Formula | C11H12 |
| InChI | InChI=1S/C11H12/c1-3-7-10(2)11-8-5-4-6-9-11/h3-9H,1H2,2H3/b10-7+ |
| InChIKey | HETLRQLNJZNYFU-JXMROGBWSA-N |
| Molecular Weight | 144.217 g/mol |
| SMILES | C1=CC(\C(C)=C\C=C)=CC=C1 |