| SpectraBase Compound ID | D67Z93R5uy8 |
|---|---|
| InChI | InChI=1S/C11H12O4/c1-3-8(12)7-4-9(13-2)11-10(5-7)14-6-15-11/h4-5H,3,6H2,1-2H3 |
| InChIKey | VQZAATPWXSLYBI-UHFFFAOYSA-N |
| Mol Weight | 208.21 g/mol |
| Molecular Formula | C11H12O4 |
| Exact Mass | 208.073559 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 | J7ATXHYtwf3 |
|---|---|
| Name | 1-(7-Methoxy-2H-1,3-benzodioxol-5-yl)propan-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.073558862 u |
| Formula | C11H12O4 |
| InChI | InChI=1S/C11H12O4/c1-3-8(12)7-4-9(13-2)11-10(5-7)14-6-15-11/h4-5H,3,6H2,1-2H3 |
| InChIKey | VQZAATPWXSLYBI-UHFFFAOYSA-N |
| Molecular Weight | 208.213 g/mol |
| SMILES | C1=C(C2=C(C=C1C(CC)=O)OCO2)OC |