SpectraBase Spectrum ID |
1uxYYK6tJzh |
Name |
Acetone, 1-[4-(dimethylaminoethoxy)phenyl]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
221.141578854 u |
Formula |
C13H19NO2 |
InChI |
InChI=1S/C13H19NO2/c1-11(15)10-12-4-6-13(7-5-12)16-9-8-14(2)3/h4-7H,8-10H2,1-3H3 |
InChIKey |
XFTXFTVLNZSSKG-UHFFFAOYSA-N |
Molecular Weight |
221.300 g/mol |
SMILES |
C1=C(C=CC(=C1)CC(C)=O)OCCN(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968961 |