| SpectraBase Spectrum ID |
BtKesoGa2zp |
| Name |
2H-1-Benzopyran-2-one, 5,7-dihydroxy-4-(1-hydroxypropyl)-6-(1-oxobutyl)- |
| Alternate Name(s) |
6-Butyryl-5,7-dihydroxy-4-(1-hydroxypropyl)-2H-chromen-2-one
6-Butyryl-5,7-dihydroxy-4-(1-hydroxypropyl)coumarin |
| CAS Registry Number |
111249-82-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H18O6 |
| InChI |
InChI=1S/C16H18O6/c1-3-5-10(18)15-11(19)7-12-14(16(15)21)8(9(17)4-2)6-13(20)22-12/h6-7,9,17,19,21H,3-5H2,1-2H3 |
| InChIKey |
XBKUAKARANAFJX-UHFFFAOYSA-N |
| Molecular Weight |
306.314 g/mol |
| SMILES |
Oc1c(c(c2c(c1)OC(C=C2C(O)CC)=O)O)C(=O)CCC |
| SPLASH |
splash10-0002-0093000000-36cf04cab896502397e5 |
| Source of Spectrum |
KC-1987-341-12 |
| Wiley ID |
1307930 |
