| SpectraBase Compound ID | Avob9m5g6gq |
|---|---|
| InChI | InChI=1S/C13H14/c1-12(2)8-6-7-11-13-9-4-3-5-10-13/h3-7,9-11H,1-2H3/b11-7+ |
| InChIKey | ODCHZOADCIUBBE-YRNVUSSQSA-N |
| Mol Weight | 170.25 g/mol |
| Molecular Formula | C13H14 |
| Exact Mass | 170.10955 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J1Znt4yWz1L |
|---|---|
| Name | 5-Methyl-1-phenylhexa-1,3,4-triene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.109550451 u |
| Formula | C13H14 |
| InChI | InChI=1S/C13H14/c1-12(2)8-6-7-11-13-9-4-3-5-10-13/h3-7,9-11H,1-2H3/b11-7+ |
| InChIKey | ODCHZOADCIUBBE-YRNVUSSQSA-N |
| Molecular Weight | 170.255 g/mol |
| SMILES | CC(=C=C\C=C\C1=CC=CC=C1)C |