| SpectraBase Spectrum ID |
EOAf5q6uQux |
| Name |
Acetic acid [4-(bromomethyl)-2-keto-chromen-7-yl] ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
295.968421766 u |
| Formula |
C12H9BrO4 |
| InChI |
InChI=1S/C12H9BrO4/c1-7(14)16-9-2-3-10-8(6-13)4-12(15)17-11(10)5-9/h2-5H,6H2,1H3 |
| InChIKey |
YDJFMNSSDOXBSR-UHFFFAOYSA-N |
| Molecular Weight |
297.104 g/mol |
| SMILES |
C(=O)(OC1=CC=2OC(C=C(C2C=C1)CBr)=O)C |
| Spectrum/Structure Validation Score (Raman) |
0.937816 |
![Acetic acid [4-(bromomethyl)-2-keto-chromen-7-yl] ester](/api/spectrum/EOAf5q6uQux/structure.png?h=300&w=458 "Acetic acid [4-(bromomethyl)-2-keto-chromen-7-yl] ester")
