SpectraBase Spectrum ID |
ILlCZFzWK9O |
Name |
Benzene, 1,1'-[1,4-butanediylbis(oxy)]bis[4-chloro-2-methyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
338.084035282 u |
Formula |
C18H20Cl2O2 |
InChI |
InChI=1S/C18H20Cl2O2/c1-13-11-15(19)5-7-17(13)21-9-3-4-10-22-18-8-6-16(20)12-14(18)2/h5-8,11-12H,3-4,9-10H2,1-2H3 |
InChIKey |
GGTBNFBVRMMIDP-UHFFFAOYSA-N |
Molecular Weight |
339.262 g/mol |
SMILES |
C1(=C(C=CC(=C1)Cl)OCCCCOC=1C=CC(=CC1C)Cl)C |
Spectrum/Structure Validation Score (Raman) |
0.976855 |