![Benzoic acid, 4-[[6-[(2-methyl-1-oxo-2-propenyl)oxy]hexyl]oxy]-](/api/spectrum/LQJKJQJWoWo/structure.png?h=300&w=458 "Benzoic acid, 4-[[6-[(2-methyl-1-oxo-2-propenyl)oxy]hexyl]oxy]-")
| SpectraBase Compound ID | 2RMQ1SC9tlS |
|---|---|
| InChI | InChI=1S/C17H22O5/c1-13(2)17(20)22-12-6-4-3-5-11-21-15-9-7-14(8-10-15)16(18)19/h7-10H,1,3-6,11-12H2,2H3,(H,18,19) |
| InChIKey | KAGIRXVDTGQWKF-UHFFFAOYSA-N |
| Mol Weight | 306.36 g/mol |
| Molecular Formula | C17H22O5 |
| Exact Mass | 306.146724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LQJKJQJWoWo |
|---|---|
| Name | Benzoic acid, 4-[[6-[(2-methyl-1-oxo-2-propenyl)oxy]hexyl]oxy]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.146723803 u |
| Formula | C17H22O5 |
| InChI | InChI=1S/C17H22O5/c1-13(2)17(20)22-12-6-4-3-5-11-21-15-9-7-14(8-10-15)16(18)19/h7-10H,1,3-6,11-12H2,2H3,(H,18,19) |
| InChIKey | KAGIRXVDTGQWKF-UHFFFAOYSA-N |
| SMILES | OC(C=1C=CC(=CC1)OCCCCCCOC(C(=C)C)=O)=O |