| SpectraBase Compound ID | 7NAsctxdCFz |
|---|---|
| InChI | InChI=1S/C13H18O4/c1-16-11-7-8-12(17-2)10(9-11)5-3-4-6-13(14)15/h7-9H,3-6H2,1-2H3,(H,14,15) |
| InChIKey | DYAVKOAANPAPFR-UHFFFAOYSA-N |
| Mol Weight | 238.28 g/mol |
| Molecular Formula | C13H18O4 |
| Exact Mass | 238.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JCZ5z1rpT4w |
|---|---|
| Name | 5-(2,5-Dimethoxyphenyl)pentanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.120509056 u |
| Formula | C13H18O4 |
| InChI | InChI=1S/C13H18O4/c1-16-11-7-8-12(17-2)10(9-11)5-3-4-6-13(14)15/h7-9H,3-6H2,1-2H3,(H,14,15) |
| InChIKey | DYAVKOAANPAPFR-UHFFFAOYSA-N |
| Molecular Weight | 238.283 g/mol |
| SMILES | C1=CC(=C(C=C1OC)CCCCC(O)=O)OC |