| SpectraBase Compound ID | 3lDmu8Vm4VI |
|---|---|
| InChI | InChI=1S/C10H12O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2,4,6,11-12H,3,5H2,1H3 |
| InChIKey | NTULQOXXTCSEHM-UHFFFAOYSA-N |
| Mol Weight | 196.2 g/mol |
| Molecular Formula | C10H12O4 |
| Exact Mass | 196.073559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | DX2U1N7TArV |
|---|---|
| Name | Benzenepropanoic acid, 3,4-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)5-3-7-2-4-8(11)9(12)6-7/h2,4,6,11-12H,3,5H2,1H3 |
| InChIKey | NTULQOXXTCSEHM-UHFFFAOYSA-N |
| Molecular Weight | 196.202 g/mol |
| SMILES | C(CC1=CC(O)=C(C=C1)O)C(OC)=O |