SpectraBase Spectrum ID |
9HOXIzHWBKJ |
Name |
1,2-Benzenediol, o-(3-bromobenzoyl)-o'-(6-chlorohexanoyl)- |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
467.957185056 u |
Formula |
C19H18Br2O4 |
InChI |
InChI=1S/C19H18Br2O4/c20-12-5-1-2-11-18(22)24-16-9-3-4-10-17(16)25-19(23)14-7-6-8-15(21)13-14/h3-4,6-10,13H,1-2,5,11-12H2 |
InChIKey |
IQTIBFKLCLDMRJ-UHFFFAOYSA-N |
Molecular Weight |
470.157 g/mol |
SMILES |
C1=C(C(=CC=C1)OC(=O)CCCCCBr)OC(=O)C1=CC(=CC=C1)Br |