SpectraBase Spectrum ID |
AbVWgq8VLrD |
Name |
Acetamide, N-(2-cyano-4,5-diethoxyphenyl)-2-(indan-5-yloxy)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
380.173607257 u |
Formula |
C22H24N2O4 |
InChI |
InChI=1S/C22H24N2O4/c1-3-26-20-11-17(13-23)19(12-21(20)27-4-2)24-22(25)14-28-18-9-8-15-6-5-7-16(15)10-18/h8-12H,3-7,14H2,1-2H3,(H,24,25) |
InChIKey |
WJHASMZDTYTDQS-UHFFFAOYSA-N |
Molecular Weight |
380.444 g/mol |
SMILES |
C1(=C(C#N)C=C(C(=C1)OCC)OCC)NC(=O)COC=1C=C2CCCC2=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952933 |