| SpectraBase Spectrum ID |
25VNcAEqGo2 |
| Name |
1-(4-Methylphenyl)-1-methoxy-3,3-dichloropropane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
232.042170470 u |
| Formula |
C11H14Cl2O |
| InChI |
InChI=1S/C11H14Cl2O/c1-8-3-5-9(6-4-8)10(14-2)7-11(12)13/h3-6,10-11H,7H2,1-2H3 |
| InChIKey |
NLJHGFHTVXTAGZ-UHFFFAOYSA-N |
| Molecular Weight |
233.138 g/mol |
| SMILES |
C(C(C=1C=CC(=CC1)C)OC)C(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959726 |
