| SpectraBase Spectrum ID |
HLH3T21eZ6e |
| Name |
3'-{[(4-chloro-3,5-xylyl)oxy]methyl}-4'-methoxyacetophenone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.102272169 u |
| Formula |
C18H19ClO3 |
| InChI |
InChI=1S/C18H19ClO3/c1-11-7-16(8-12(2)18(11)19)22-10-15-9-14(13(3)20)5-6-17(15)21-4/h5-9H,10H2,1-4H3 |
| InChIKey |
PLBWJRYDDBHHNU-UHFFFAOYSA-N |
| Molecular Weight |
318.800 g/mol |
| SMILES |
C=1C(=CC(=C(C1C)Cl)C)OCC=1C(=CC=C(C1)C(C)=O)OC |
| Spectrum/Structure Validation Score (Raman) |
0.898351 |
![3'-{[(4-chloro-3,5-xylyl)oxy]methyl}-4'-methoxyacetophenone](/api/spectrum/HLH3T21eZ6e/structure.png?h=300&w=458 "3'-{[(4-chloro-3,5-xylyl)oxy]methyl}-4'-methoxyacetophenone")
