| SpectraBase Compound ID | 4e9aSl0p7dD |
|---|---|
| InChI | InChI=1S/C14H16O2/c1-3-4-5-6-7-14(15)12-8-10-13(16-2)11-9-12/h8-11H,3-5H2,1-2H3 |
| InChIKey | PPSFMKYAKIAHKJ-UHFFFAOYSA-N |
| Mol Weight | 216.28 g/mol |
| Molecular Formula | C14H16O2 |
| Exact Mass | 216.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4SvArMxTMlh |
|---|---|
| Name | 1-(4-Methoxyphenyl)-2-heptyn-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.115029753 u |
| Formula | C14H16O2 |
| InChI | InChI=1S/C14H16O2/c1-3-4-5-6-7-14(15)12-8-10-13(16-2)11-9-12/h8-11H,3-5H2,1-2H3 |
| InChIKey | PPSFMKYAKIAHKJ-UHFFFAOYSA-N |
| Molecular Weight | 216.280 g/mol |
| SMILES | C(#CCCCC)C(C=1C=CC(=CC1)OC)=O |