| SpectraBase Compound ID | JSBlhvMD45g |
|---|---|
| InChI | InChI=1S/C13H16O/c1-3-11(2)9-10-13(14)12-7-5-4-6-8-12/h3-8,11H,1,9-10H2,2H3 |
| InChIKey | ZPLQKXCBDYQBLP-UHFFFAOYSA-N |
| Mol Weight | 188.27 g/mol |
| Molecular Formula | C13H16O |
| Exact Mass | 188.120115 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6ojio5QICr9 |
|---|---|
| Name | 3-Methylpent-4-enyl phenyl ketone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.120115134 u |
| Formula | C13H16O |
| InChI | InChI=1S/C13H16O/c1-3-11(2)9-10-13(14)12-7-5-4-6-8-12/h3-8,11H,1,9-10H2,2H3 |
| InChIKey | ZPLQKXCBDYQBLP-UHFFFAOYSA-N |
| Molecular Weight | 188.270 g/mol |
| SMILES | C(=O)(CCC(C=C)C)C1=CC=CC=C1 |