| SpectraBase Compound ID | IcoheYXNrvq |
|---|---|
| InChI | InChI=1S/C17H22O2/c1-3-10-16(4-2)19-17(18)14-9-8-13-15-11-6-5-7-12-15/h5-7,11-12,16H,4,8-9,13-14H2,1-2H3 |
| InChIKey | GAZMAPRAZQXFKV-UHFFFAOYSA-N |
| Mol Weight | 258.36 g/mol |
| Molecular Formula | C17H22O2 |
| Exact Mass | 258.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JOb5bNrFvm |
|---|---|
| Name | 5-Phenylvaleric acid, hex-4-yn-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.161979946 u |
| Formula | C17H22O2 |
| InChI | InChI=1S/C17H22O2/c1-3-10-16(4-2)19-17(18)14-9-8-13-15-11-6-5-7-12-15/h5-7,11-12,16H,4,8-9,13-14H2,1-2H3 |
| InChIKey | GAZMAPRAZQXFKV-UHFFFAOYSA-N |
| Molecular Weight | 258.361 g/mol |
| SMILES | C(CCC(OC(CC)C#CC)=O)CC=1C=CC=CC1 |