| SpectraBase Spectrum ID |
VSUaWzHNaO |
| Name |
3-Acetyl-5,7-dimethoxycoumarin |
| Alternate Name(s) |
3-acetyl-5,7-dimethoxy-1-benzopyran-2-one
3-acetyl-5,7-dimethoxychromen-2-one
3-acetyl-5,7-dimethoxy-chromen-2-one
3-ethanoyl-5,7-dimethoxy-chromen-2-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H12O5 |
| InChI |
InChI=1S/C13H12O5/c1-7(14)9-6-10-11(17-3)4-8(16-2)5-12(10)18-13(9)15/h4-6H,1-3H3 |
| InChIKey |
VOPLTTRBWKQQOW-UHFFFAOYSA-N |
| Molecular Weight |
248.234 g/mol |
| SMILES |
C=1(C(Oc2c(C1)c(cc(OC)c2)OC)=O)C(=O)C |
| SPLASH |
splash10-001i-0090000000-a455ff7cdc76c6ccb13f |
| Source of Spectrum |
U1-2011-2881-5f |
| Wiley ID |
1665393 |
