SpectraBase Spectrum ID |
7Fk54TQtVwm |
Name |
1-Methoxy-1-(4-methoxyphenyl)-3,3,3-trichloropropane |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
281.998112757 u |
Formula |
C11H13Cl3O2 |
InChI |
InChI=1S/C11H13Cl3O2/c1-15-9-5-3-8(4-6-9)10(16-2)7-11(12,13)14/h3-6,10H,7H2,1-2H3 |
InChIKey |
LDUCAUUQIIIJGJ-UHFFFAOYSA-N |
Molecular Weight |
283.582 g/mol |
SMILES |
C1(=CC=C(C=C1)C(CC(Cl)(Cl)Cl)OC)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935178 |