| SpectraBase Spectrum ID |
BKvol0gcNzK |
| Name |
1-(2,5-Dihydroxy-3-methoxyphenyl)-2-(4-methoxyphenyl)ethanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
288.099773610 u |
| Formula |
C16H16O5 |
| InChI |
InChI=1S/C16H16O5/c1-20-12-5-3-10(4-6-12)7-14(18)13-8-11(17)9-15(21-2)16(13)19/h3-6,8-9,17,19H,7H2,1-2H3 |
| InChIKey |
NKNCYTJXBLCAEY-UHFFFAOYSA-N |
| SMILES |
C(CC1=CC=C(C=C1)OC)(=O)C1=C(O)C(OC)=CC(=C1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.879125 |
