| SpectraBase Compound ID | 2LoQ6y1cvsi |
|---|---|
| InChI | InChI=1S/C18H18O5/c1-12(19)23-17-10-8-13(11-18(17)22-2)7-9-16(21)14-5-3-4-6-15(14)20/h3-6,8,10-11,20H,7,9H2,1-2H3 |
| InChIKey | ZQEIRGTUUUCRME-UHFFFAOYSA-N |
| Mol Weight | 314.34 g/mol |
| Molecular Formula | C18H18O5 |
| Exact Mass | 314.115424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9R9jEAL9JRy |
|---|---|
| Name | Propafenone-m isomer-2 ac @P994 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.115423675 u |
| Formula | C18H18O5 |
| InChI | InChI=1S/C18H18O5/c1-12(19)23-17-10-8-13(11-18(17)22-2)7-9-16(21)14-5-3-4-6-15(14)20/h3-6,8,10-11,20H,7,9H2,1-2H3 |
| InChIKey | ZQEIRGTUUUCRME-UHFFFAOYSA-N |
| Molecular Weight | 314.337 g/mol |
| SMILES | C=1C=C(C(=O)CCC2=CC=C(C(=C2)OC)OC(C)=O)C(O)=CC1 |