| SpectraBase Spectrum ID |
9BV1bZlYbaP |
| Name |
2'-Chloro-3-(2-chloro-4-hydroxy-5-methoxyphenyl)-3,4'-dihydroxy-5'-methoxypropiophenone, 4,4'-diacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
470.053522996 u |
| Formula |
C21H20Cl2O8 |
| InChI |
InChI=1S/C21H20Cl2O8/c1-10(24)30-20-7-14(22)12(5-18(20)28-3)16(26)9-17(27)13-6-19(29-4)21(8-15(13)23)31-11(2)25/h5-8,16,26H,9H2,1-4H3 |
| InChIKey |
GHASXINHTBULAX-UHFFFAOYSA-N |
| Molecular Weight |
471.289 g/mol |
| SMILES |
OC(CC(C=1C=C(C(=CC1Cl)OC(=O)C)OC)=O)C=1C(=CC(=C(C1)OC)OC(=O)C)Cl |
| Spectrum/Structure Validation Score (Raman) |
0.83397 |
