| SpectraBase Spectrum ID |
79nSRmvwWVU |
| Name |
3-Bromo-7-hydroxy-8-(mercaptoacetyl)-4-methylcoumarin, 8-(diethyldithiocarbamate) |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
442.986063408 u |
| Formula |
C17H18BrNO4S2 |
| InChI |
InChI=1S/C17H18BrNO4S2/c1-4-19(5-2)17(24)25-8-12(21)13-11(20)7-6-10-9(3)14(18)16(22)23-15(10)13/h6-7,20H,4-5,8H2,1-3H3 |
| InChIKey |
CGZNQLKXRUSGOX-UHFFFAOYSA-N |
| Molecular Weight |
444.358 g/mol |
| SMILES |
OC=1C=CC=2C(=C(C(OC2C1C(=O)CSC(N(CC)CC)=S)=O)Br)C |
