| SpectraBase Spectrum ID |
K2g51eNYVeI |
| Name |
2H-1-Benzopyran-2-one, 4-(chloromethyl)-5,7-dihydroxy-8-(1-oxobutyl)- |
| Alternate Name(s) |
8-Butyryl-4-(chloromethyl)-5,7-dihydroxy-2H-chromen-2-one
8-Butyryl-4-chloromethyl-5,7-dihydroxycoumarin |
| CAS Registry Number |
111249-71-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H13ClO5 |
| InChI |
InChI=1S/C14H13ClO5/c1-2-3-8(16)13-10(18)5-9(17)12-7(6-15)4-11(19)20-14(12)13/h4-5,17-18H,2-3,6H2,1H3 |
| InChIKey |
SXLHNTRRWHQXLB-UHFFFAOYSA-N |
| Molecular Weight |
296.706 g/mol |
| SMILES |
Oc1c2c(c(c(c1)O)C(=O)CCC)OC(C=C2CCl)=O |
| SPLASH |
splash10-014i-0090000000-cb9056480cb3016da8c3 |
| Source of Spectrum |
KC-1987-339-0 |
| Wiley ID |
1298747 |
