SpectraBase Spectrum ID |
2FbnPMcBVco |
Name |
(3,5-Dimethylphenyl)(morpholino)methanone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
219.125928789 u |
Formula |
C13H17NO2 |
InChI |
InChI=1S/C13H17NO2/c1-10-7-11(2)9-12(8-10)13(15)14-3-5-16-6-4-14/h7-9H,3-6H2,1-2H3 |
InChIKey |
BUXGDAIMTFTMPO-UHFFFAOYSA-N |
Molecular Weight |
219.284 g/mol |
SMILES |
C=1C(=CC(C)=CC1C)C(N1CCOCC1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933253 |