| SpectraBase Spectrum ID |
1sssI71MVmW |
| Name |
3-Bromo-8-(2-bromopropionyl)-7-hydroxy-4-methylcoumarin |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
387.894584798 u |
| Formula |
C13H10Br2O4 |
| InChI |
InChI=1S/C13H10Br2O4/c1-5-7-3-4-8(16)9(11(17)6(2)14)12(7)19-13(18)10(5)15/h3-4,6,16H,1-2H3 |
| InChIKey |
VSBVHFJTWJRTHP-UHFFFAOYSA-N |
| Molecular Weight |
390.027 g/mol |
| SMILES |
OC=1C=CC=2C(=C(C(OC2C1C(C(C)Br)=O)=O)Br)C |
| Spectrum/Structure Validation Score (Raman) |
0.911331 |
