| SpectraBase Spectrum ID |
13mDYqmxPPm |
| Name |
2H-1-Benzopyran-2-one, 4,5-dihydroxy-3-(3-oxo-1-phenylbutyl)- |
| Alternate Name(s) |
4,5-Dihydroxy-3-(3-oxo-1-phenylbutyl)-2H-chromen-2-one
5-Hydroxywarfarin
Coumarin, 3-(.alpha.-acetonylbenzyl)-4,5-dihydroxy- |
| CAS Registry Number |
30817-60-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H16O5 |
| InChI |
InChI=1S/C19H16O5/c1-11(20)10-13(12-6-3-2-4-7-12)16-18(22)17-14(21)8-5-9-15(17)24-19(16)23/h2-9,13,21-22H,10H2,1H3 |
| InChIKey |
OQEDVVLQDQUTCO-UHFFFAOYSA-N |
| Molecular Weight |
324.332 g/mol |
| SMILES |
Oc1cccc2OC(C(=C(c12)O)C(CC(=O)C)c1ccccc1)=O |
| SPLASH |
splash10-003u-6950000000-ff8a0752fcb5c674c1c1 |
| Source of Spectrum |
AF-13-1201-3 |
| Wiley ID |
1323265 |
