SpectraBase Spectrum ID |
3CyiKqL0N4T |
Name |
3-[2-(4-Methoxy-phenyl)-2-oxo-ethyl]-1,3,4-trimethyl-indolin-2-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
323.152143537 u |
Formula |
C20H21NO3 |
InChI |
InChI=1S/C20H21NO3/c1-13-6-5-7-16-18(13)20(2,19(23)21(16)3)12-17(22)14-8-10-15(24-4)11-9-14/h5-11H,12H2,1-4H3 |
InChIKey |
IGSFFRKMZHYWNV-UHFFFAOYSA-N |
Molecular Weight |
323.392 g/mol |
SMILES |
C1(C(N(C)C=2C1=C(C=CC2)C)=O)(CC(C1=CC=C(C=C1)OC)=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.868797 |