| SpectraBase Spectrum ID |
C8NvvkzeMZM |
| Name |
2H-1-Benzopyran-2-one, 5,7-dihydroxy-4-(1-hydroxypropyl)-8-(1-oxobutyl)- |
| Alternate Name(s) |
8-Butyryl-5,7-dihydroxy-4-(1-hydroxypropyl)-2H-chromen-2-one
8-Butyryl-5,7-dihydroxy-4-(1-hydroxypropyl)coumarin |
| CAS Registry Number |
111249-85-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H18O6 |
| InChI |
InChI=1S/C16H18O6/c1-3-5-10(18)15-12(20)7-11(19)14-8(9(17)4-2)6-13(21)22-16(14)15/h6-7,9,17,19-20H,3-5H2,1-2H3 |
| InChIKey |
OKJPGIIPDCFJTO-UHFFFAOYSA-N |
| Molecular Weight |
306.314 g/mol |
| SMILES |
Oc1cc(c(c2c1C(C(O)CC)=CC(O2)=O)C(=O)CCC)O |
| SPLASH |
splash10-08ft-0092000000-ff45a9fd01f584e858c6 |
| Source of Spectrum |
KC-1987-342-12 |
| Wiley ID |
1307931 |
