SpectraBase Spectrum ID |
4kZtTbQndWA |
Name |
Acetamide, N-[1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-2(1H)-is oquinolinyl]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
400.199822005 u |
Formula |
C22H28N2O5 |
InChI |
InChI=1S/C22H28N2O5/c1-14(25)23-24-9-8-16-12-21(28-4)22(29-5)13-17(16)18(24)10-15-6-7-19(26-2)20(11-15)27-3/h6-7,11-13,18H,8-10H2,1-5H3,(H,23,25) |
InChIKey |
NQIDYYXCPOMEIN-UHFFFAOYSA-N |
Molecular Weight |
400.475 g/mol |
SMILES |
C1(N(CCC=2C=C(C(=CC12)OC)OC)NC(=O)C)CC=1C=C(OC)C(=CC1)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.892502 |