| SpectraBase Spectrum ID |
HeXPjONzjXB |
| Name |
9H-Xanthen-9-one, 2,5-dichloro-6,8-dihydroxy-1-methyl-3-(phenylmethoxy)- |
| Alternate Name(s) |
3-(benzyloxy)-2,5-dichloro-6,8-dihydroxy-1-methyl-9H-xanthen-9-one
6-Benzyloxy-4,7-dichloro-1,3-dihydroxy-8-methyl-9H-xanthen-9-one |
| CAS Registry Number |
131524-55-5 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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 |
Oc1cc(c(c2c1C(c1c(O2)cc(c(c1C)Cl)OCc1ccccc1)=O)Cl)O |
| SPLASH |
splash10-0006-9000000000-c5f9d97548c7c0cb06e0 |
| Source of Spectrum |
B-43-1755-17 |
| Wiley ID |
1376259 |
