| SpectraBase Compound ID | FZyEHJbX1rr |
|---|---|
| InChI | InChI=1S/C15H18O2/c1-4-6-7-13-8-10-14(11-9-13)15(16)17-12(3)5-2/h2,8-12H,4,6-7H2,1,3H3 |
| InChIKey | WDPXNICGYXUUQU-UHFFFAOYSA-N |
| Mol Weight | 230.31 g/mol |
| Molecular Formula | C15H18O2 |
| Exact Mass | 230.13068 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 | 1VytAqAjzjK |
|---|---|
| Name | 4-Butylbenzoic acid, but-3-yn-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.130679818 u |
| Formula | C15H18O2 |
| InChI | InChI=1S/C15H18O2/c1-4-6-7-13-8-10-14(11-9-13)15(16)17-12(3)5-2/h2,8-12H,4,6-7H2,1,3H3 |
| InChIKey | WDPXNICGYXUUQU-UHFFFAOYSA-N |
| Molecular Weight | 230.307 g/mol |
| SMILES | C(=O)(OC(C)C#C)C1=CC=C(CCCC)C=C1 |