| SpectraBase Compound ID | 9KXIrQC1aZ0 |
|---|---|
| InChI | InChI=1S/C10H12O4/c1-2-14-10(13)5-7-3-8(11)6-9(12)4-7/h3-4,6,11-12H,2,5H2,1H3 |
| InChIKey | IDZMZHPTOBCJDG-UHFFFAOYSA-N |
| Mol Weight | 196.2 g/mol |
| Molecular Formula | C10H12O4 |
| Exact Mass | 196.073559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JITGIEO362N |
|---|---|
| Name | Benzeneacetic acid, 3,5-dihydroxy-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.073558862 u |
| Formula | C10H12O4 |
| InChI | InChI=1S/C10H12O4/c1-2-14-10(13)5-7-3-8(11)6-9(12)4-7/h3-4,6,11-12H,2,5H2,1H3 |
| InChIKey | IDZMZHPTOBCJDG-UHFFFAOYSA-N |
| Molecular Weight | 196.202 g/mol |
| SMILES | C1(O)=CC(CC(=O)OCC)=CC(=C1)O |