| SpectraBase Compound ID | 2xpMkDis6oa |
|---|---|
| InChI | InChI=1S/C16H22/c1-3-9-15(10-4-2)13-8-14-16-11-6-5-7-12-16/h5-8,11-14H,3-4,9-10H2,1-2H3/b14-8+ |
| InChIKey | ZQEJOXQEEYJAFO-RIYZIHGNSA-N |
| Mol Weight | 214.35 g/mol |
| Molecular Formula | C16H22 |
| Exact Mass | 214.172151 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4iCn36MJoSM |
|---|---|
| Name | 1-Phenyl-4-propyl-1,3-heptadiene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.172150708 u |
| Formula | C16H22 |
| InChI | InChI=1S/C16H22/c1-3-9-15(10-4-2)13-8-14-16-11-6-5-7-12-16/h5-8,11-14H,3-4,9-10H2,1-2H3/b14-8+ |
| InChIKey | ZQEJOXQEEYJAFO-RIYZIHGNSA-N |
| Molecular Weight | 214.352 g/mol |
| SMILES | C(\C=C\C=1C=CC=CC1)=C(CCC)CCC |