SpectraBase Spectrum ID |
GihFGUa8oor |
Name |
1,1',1''-S-Phenyltrimorpholine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
327.267448075 u |
Formula |
C21H33N3 |
InChI |
InChI=1S/C21H33N3/c1-4-10-22(11-5-1)19-16-20(23-12-6-2-7-13-23)18-21(17-19)24-14-8-3-9-15-24/h16-18H,1-15H2 |
InChIKey |
VYSPTRONAFCTMA-UHFFFAOYSA-N |
Molecular Weight |
327.516 g/mol |
SMILES |
C1=C(C=C(C=C1N1CCCCC1)N1CCCCC1)N1CCCCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958698 |