![1-Methyl-2-[(E)-pent-1-enyl]benzene](/api/spectrum/EE5v8A1SBbh/structure.png?h=300&w=458 "1-Methyl-2-[(E)-pent-1-enyl]benzene")
| SpectraBase Compound ID | 8gnjJUI8zXh |
|---|---|
| InChI | InChI=1S/C12H16/c1-3-4-5-9-12-10-7-6-8-11(12)2/h5-10H,3-4H2,1-2H3/b9-5+ |
| InChIKey | MAUHXSLDMRIHLY-WEVVVXLNSA-N |
| Mol Weight | 160.26 g/mol |
| Molecular Formula | C12H16 |
| Exact Mass | 160.125201 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EE5v8A1SBbh |
|---|---|
| Name | 1-Methyl-2-[(E)-pent-1-enyl]benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.125200515 u |
| Formula | C12H16 |
| InChI | InChI=1S/C12H16/c1-3-4-5-9-12-10-7-6-8-11(12)2/h5-10H,3-4H2,1-2H3/b9-5+ |
| InChIKey | MAUHXSLDMRIHLY-WEVVVXLNSA-N |
| Molecular Weight | 160.260 g/mol |
| SMILES | C=1(\C=C\CCC)C(C)=CC=CC1 |