![2-[(2-hex-1-Ynylphenyl)-hydroxy-methyl]acrylic acid methyl ester](/api/spectrum/4v83ornT8xv/structure.png?h=300&w=458 "2-[(2-hex-1-Ynylphenyl)-hydroxy-methyl]acrylic acid methyl ester")
| SpectraBase Compound ID | JDChTgXXS7d |
|---|---|
| InChI | InChI=1S/C17H20O3/c1-4-5-6-7-10-14-11-8-9-12-15(14)16(18)13(2)17(19)20-3/h8-9,11-12,16,18H,2,4-6H2,1,3H3 |
| InChIKey | GZKUBZSONILLJN-UHFFFAOYSA-N |
| Mol Weight | 272.34 g/mol |
| Molecular Formula | C17H20O3 |
| Exact Mass | 272.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4v83ornT8xv |
|---|---|
| Name | 2-[(2-hex-1-Ynylphenyl)-hydroxy-methyl]acrylic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.141244501 u |
| Formula | C17H20O3 |
| InChI | InChI=1S/C17H20O3/c1-4-5-6-7-10-14-11-8-9-12-15(14)16(18)13(2)17(19)20-3/h8-9,11-12,16,18H,2,4-6H2,1,3H3 |
| InChIKey | GZKUBZSONILLJN-UHFFFAOYSA-N |
| SMILES | C(C(C1=C(C#CCCCC)C=CC=C1)O)(C(=O)OC)=C |