| SpectraBase Spectrum ID |
IUa56sLRh2Q |
| Name |
4,6-Dimethoxy-3-(phenylacetyl)salicylaldehyde |
| Comments |
Computed using SmartSpectra Model v1.42 |
| 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 |
| Spectrum/Structure Validation Score (Raman) |
0.746982 |
