| SpectraBase Compound ID | EGN30owW3bg |
|---|---|
| InChI | InChI=1S/C19H18O5/c1-13(20)23-16-10-7-15(8-11-16)9-12-18(22)17-5-3-4-6-19(17)24-14(2)21/h3-8,10-11H,9,12H2,1-2H3 |
| InChIKey | IZYYZYIFRYSVRL-UHFFFAOYSA-N |
| Mol Weight | 326.35 g/mol |
| Molecular Formula | C19H18O5 |
| Exact Mass | 326.115424 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 | L6Ee8JG4BD9 |
|---|---|
| Name | Etafenone-m (o-dealkyl-ho-) 2ac P1068 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.115423675 u |
| Formula | C19H18O5 |
| InChI | InChI=1S/C19H18O5/c1-13(20)23-16-10-7-15(8-11-16)9-12-18(22)17-5-3-4-6-19(17)24-14(2)21/h3-8,10-11H,9,12H2,1-2H3 |
| InChIKey | IZYYZYIFRYSVRL-UHFFFAOYSA-N |
| Molecular Weight | 326.348 g/mol |
| SMILES | C=1C=C(C(=O)CCC2=CC=C(C=C2)OC(C)=O)C(OC(C)=O)=CC1 |