| SpectraBase Compound ID | AfzlqJ2slPm |
|---|---|
| InChI | InChI=1S/C13H18O4/c1-3-4-5-6-9-7-10(14)8-11(15)12(9)13(16)17-2/h7-8,14-15H,3-6H2,1-2H3 |
| InChIKey | RQGAOBDPFOADCM-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 | 4dmj5fafuw9 |
|---|---|
| Name | 2,4-Dihydroxy-6-pentylbenzoic acid methyl ester |
| 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/c1-3-4-5-6-9-7-10(14)8-11(15)12(9)13(16)17-2/h7-8,14-15H,3-6H2,1-2H3 |
| InChIKey | RQGAOBDPFOADCM-UHFFFAOYSA-N |
| Molecular Weight | 238.283 g/mol |
| SMILES | C=1(C(=CC(=CC1CCCCC)O)O)C(=O)OC |