![Benzoic acid, 4-[4-[(2-methyl-1-oxo-2-propenyl)oxy]butoxy]-](/api/spectrum/DwxSg2VYIzF/structure.png?h=300&w=458 "Benzoic acid, 4-[4-[(2-methyl-1-oxo-2-propenyl)oxy]butoxy]-")
| SpectraBase Compound ID | LtURsx1DhAG |
|---|---|
| InChI | InChI=1S/C15H18O5/c1-11(2)15(18)20-10-4-3-9-19-13-7-5-12(6-8-13)14(16)17/h5-8H,1,3-4,9-10H2,2H3,(H,16,17) |
| InChIKey | KJWAXBUYXXCQOC-UHFFFAOYSA-N |
| Mol Weight | 278.3 g/mol |
| Molecular Formula | C15H18O5 |
| Exact Mass | 278.115424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DwxSg2VYIzF |
|---|---|
| Name | Benzoic acid, 4-[4-[(2-methyl-1-oxo-2-propenyl)oxy]butoxy]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.115423675 u |
| Formula | C15H18O5 |
| InChI | InChI=1S/C15H18O5/c1-11(2)15(18)20-10-4-3-9-19-13-7-5-12(6-8-13)14(16)17/h5-8H,1,3-4,9-10H2,2H3,(H,16,17) |
| InChIKey | KJWAXBUYXXCQOC-UHFFFAOYSA-N |
| SMILES | OC(C1=CC=C(C=C1)OCCCCOC(C(=C)C)=O)=O |