| SpectraBase Compound ID | 7uAkjXce2IS |
|---|---|
| InChI | InChI=1S/C13H16/c1-5-6-7-13-11(3)8-10(2)9-12(13)4/h5-9H,1H2,2-4H3/b7-6+ |
| InChIKey | YOPHSFAXJIMOIN-VOTSOKGWSA-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 | 80RYJmXFLNd |
|---|---|
| Name | Benzene, 2-(1,3-butadienyl)-1,3,5-trimethyl- |
| 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/c1-5-6-7-13-11(3)8-10(2)9-12(13)4/h5-9H,1H2,2-4H3/b7-6+ |
| InChIKey | YOPHSFAXJIMOIN-VOTSOKGWSA-N |
| Molecular Weight | 172.271 g/mol |
| SMILES | C1(\C=C\C=C)=C(C)C=C(C=C1C)C |