| SpectraBase Compound ID | J3PwgnKAj9v |
|---|---|
| InChI | InChI=1S/C10H12O4/c1-14-10(13)6-9(12)7-3-2-4-8(11)5-7/h2-5,9,11-12H,6H2,1H3 |
| InChIKey | RJGKHTZHLGBJHK-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 | 5cTB6wUxHvU |
|---|---|
| Name | Benzenepropanoic acid, .beta.,3-dihydroxy-, methyl 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/c1-14-10(13)6-9(12)7-3-2-4-8(11)5-7/h2-5,9,11-12H,6H2,1H3 |
| InChIKey | RJGKHTZHLGBJHK-UHFFFAOYSA-N |
| Molecular Weight | 196.202 g/mol |
| SMILES | C(C(O)C1=CC(O)=CC=C1)C(OC)=O |