| SpectraBase Compound ID | 2yYNdcXJC6V |
|---|---|
| InChI | InChI=1S/C16H22/c1-3-4-5-7-10-15(2)13-14-16-11-8-6-9-12-16/h6,8-9,11-12,14H,3-5,7,10H2,1-2H3 |
| InChIKey | VKDAZPNPNNLCMD-UHFFFAOYSA-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 | G1lUqsedMvW |
|---|---|
| Name | 1-Phenyl-3-methyl-1,2-nonadiene |
| 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/c1-3-4-5-7-10-15(2)13-14-16-11-8-6-9-12-16/h6,8-9,11-12,14H,3-5,7,10H2,1-2H3 |
| InChIKey | VKDAZPNPNNLCMD-UHFFFAOYSA-N |
| Molecular Weight | 214.352 g/mol |
| SMILES | C(=C=C(CCCCCC)C)C=1C=CC=CC1 |