| SpectraBase Compound ID | 4QvP6ZIFlAK |
|---|---|
| InChI | InChI=1S/C10H12O4/c1-12-7-4-5-9(13-2)8(6-7)10(11)14-3/h4-6H,1-3H3 |
| InChIKey | AKAPOSLZQKGWGT-UHFFFAOYSA-N |
| Mol Weight | 196.2 g/mol |
| Molecular Formula | C10H12O4 |
| Exact Mass | 196.073559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4fdc26skPIC |
|---|---|
| Name | Gentisic acid, dimethyl ether, 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/c1-12-7-4-5-9(13-2)8(6-7)10(11)14-3/h4-6H,1-3H3 |
| InChIKey | AKAPOSLZQKGWGT-UHFFFAOYSA-N |
| Molecular Weight | 196.202 g/mol |
| SMILES | C1(C(=O)OC)=C(C=CC(=C1)OC)OC |