SpectraBase Spectrum ID |
IZFjEp82rRk |
Name |
4-(1-Methoxy-1-methylethyl)-7-(morpholinomethyl)tropolone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
293.162708221 u |
Formula |
C16H23NO4 |
InChI |
InChI=1S/C16H23NO4/c1-16(2,20-3)13-5-4-12(15(19)14(18)10-13)11-17-6-8-21-9-7-17/h4-5,10H,6-9,11H2,1-3H3,(H,18,19) |
InChIKey |
MGGHPIVGTNZLAH-UHFFFAOYSA-N |
SMILES |
C1=C(C(C(=CC(=C1)C(C)(C)OC)O)=O)CN1CCOCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.908542 |