| SpectraBase Compound ID | GcKEmlGEGuD |
|---|---|
| InChI | InChI=1S/C15H18/c1-3-4-5-6-7-8-12-15-13-10-9-11-14(15)2/h6-7,9-11,13H,3-5H2,1-2H3/b7-6+ |
| InChIKey | HUKUTLSUIJYAJW-VOTSOKGWSA-N |
| Mol Weight | 198.31 g/mol |
| Molecular Formula | C15H18 |
| Exact Mass | 198.140851 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EoBFb9u8aB6 |
|---|---|
| Name | (E)-1-(2-Methylphenyl)oct-3-en-1-yne |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.140850580 u |
| Formula | C15H18 |
| InChI | InChI=1S/C15H18/c1-3-4-5-6-7-8-12-15-13-10-9-11-14(15)2/h6-7,9-11,13H,3-5H2,1-2H3/b7-6+ |
| InChIKey | HUKUTLSUIJYAJW-VOTSOKGWSA-N |
| Molecular Weight | 198.309 g/mol |
| SMILES | C(#C\C=C\CCCC)C=1C(=CC=CC1)C |