| SpectraBase Spectrum ID |
KShTYmzK3CN |
| Name |
9H-Xanthen-9-one, 2,5-dichloro-6,8-dihydroxy-1-methyl-3-(phenylmethoxy)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
416.021828946 u |
| Formula |
C21H14Cl2O5 |
| InChI |
InChI=1S/C21H14Cl2O5/c1-10-16-14(8-15(18(10)22)27-9-11-5-3-2-4-6-11)28-21-17(20(16)26)12(24)7-13(25)19(21)23/h2-8,24-25H,9H2,1H3 |
| InChIKey |
POQDQZUMEMMURY-UHFFFAOYSA-N |
| Molecular Weight |
417.244 g/mol |
| SMILES |
C12=C(OC3=C(C2=O)C(=C(C(OCC=2C=CC=CC2)=C3)Cl)C)C(Cl)=C(C=C1O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930508 |
