| SpectraBase Compound ID | GXTwV9IBG2u |
|---|---|
| InChI | InChI=1S/C17H12O6/c18-13(12-8-11(17(20)21)3-5-14(12)19)4-1-10-2-6-15-16(7-10)23-9-22-15/h1-8,19H,9H2,(H,20,21) |
| InChIKey | RIHRBIZRQGYNHN-UHFFFAOYSA-N |
| Mol Weight | 312.28 g/mol |
| Molecular Formula | C17H12O6 |
| Exact Mass | 312.063388 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 | 3b3iWx4ETpH |
|---|---|
| Name | 4-Hydroxy-3-(3,4-methylenedioxycinnamoyl)benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.063388100 u |
| Formula | C17H12O6 |
| InChI | InChI=1S/C17H12O6/c18-13(12-8-11(17(20)21)3-5-14(12)19)4-1-10-2-6-15-16(7-10)23-9-22-15/h1-8,19H,9H2,(H,20,21) |
| InChIKey | RIHRBIZRQGYNHN-UHFFFAOYSA-N |
| SMILES | OC(C1=CC(=C(C=C1)O)C(C=CC=1C=CC=2OCOC2C1)=O)=O |