| SpectraBase Compound ID | FI8qeLLl2QL |
|---|---|
| InChI | InChI=1S/C13H16/c1-4-13(11(2)3)10-12-8-6-5-7-9-12/h4-11H,1H2,2-3H3/b13-10- |
| InChIKey | CXDXAKRYGQTHLD-RAXLEYEMSA-N |
| Mol Weight | 172.27 g/mol |
| Molecular Formula | C13H16 |
| Exact Mass | 172.125201 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3HhGUtEj6b5 |
|---|---|
| Name | (E)-2-(1-Methylethyl)-1-phenyl-1,3-butadiene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.125200515 u |
| Formula | C13H16 |
| InChI | InChI=1S/C13H16/c1-4-13(11(2)3)10-12-8-6-5-7-9-12/h4-11H,1H2,2-3H3/b13-10- |
| InChIKey | CXDXAKRYGQTHLD-RAXLEYEMSA-N |
| Molecular Weight | 172.271 g/mol |
| SMILES | C1(\C=C\(C=C)C(C)C)=CC=CC=C1 |