| SpectraBase Compound ID | BJ23jQsZk0k |
|---|---|
| InChI | InChI=1S/C17H16O5/c1-21-14-9-15(22-2)16(17(20)12(14)10-18)13(19)8-11-6-4-3-5-7-11/h3-7,9-10,20H,8H2,1-2H3 |
| InChIKey | HDNXLCPBGIGBQO-UHFFFAOYSA-N |
| Mol Weight | 300.31 g/mol |
| Molecular Formula | C17H16O5 |
| Exact Mass | 300.099774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2exkSKFLRkY |
|---|---|
| Name | 4,6-Dimethoxy-3-(phenylacetyl)salicylaldehyde |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.099773610 u |
| Formula | C17H16O5 |
| InChI | InChI=1S/C17H16O5/c1-21-14-9-15(22-2)16(17(20)12(14)10-18)13(19)8-11-6-4-3-5-7-11/h3-7,9-10,20H,8H2,1-2H3 |
| InChIKey | HDNXLCPBGIGBQO-UHFFFAOYSA-N |
| SMILES | OC=1C(C(CC2=CC=CC=C2)=O)=C(C=C(C1C=O)OC)OC |