| SpectraBase Spectrum ID |
2V9J7Nx4211 |
| Name |
6-Chloro-7-hydroxy-4-(methoxymethyl)coumarin, acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
282.029501149 u |
| Formula |
C13H11ClO5 |
| InChI |
InChI=1S/C13H11ClO5/c1-7(15)18-12-5-11-9(4-10(12)14)8(6-17-2)3-13(16)19-11/h3-5H,6H2,1-2H3 |
| InChIKey |
OVOHQQJWFJMNIJ-UHFFFAOYSA-N |
| Molecular Weight |
282.679 g/mol |
| SMILES |
C=12C=C(C(=CC1OC(C=C2COC)=O)OC(C)=O)Cl |
| Spectrum/Structure Validation Score (Raman) |
0.914485 |
