SpectraBase Spectrum ID |
8xBYg2u7b1A |
Name |
Azacycloheptan-2-one, 3-[2-(diphenylmethoxy)ethylamino]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
338.199428083 u |
Formula |
C21H26N2O2 |
InChI |
InChI=1S/C21H26N2O2/c24-21-19(13-7-8-14-23-21)22-15-16-25-20(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,19-20,22H,7-8,13-16H2,(H,23,24) |
InChIKey |
NPLFAUOLLJVJFR-UHFFFAOYSA-N |
Molecular Weight |
338.451 g/mol |
SMILES |
C1NC(C(CCC1)NCCOC(C=1C=CC=CC1)C=1C=CC=CC1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943176 |