SpectraBase Spectrum ID |
34NHUdqD4XF |
Name |
Morpholine, 4-[2-(cyano-4-morpholinylmethyl)benzoyl]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
315.158291545 u |
Formula |
C17H21N3O3 |
InChI |
InChI=1S/C17H21N3O3/c18-13-16(19-5-9-22-10-6-19)14-3-1-2-4-15(14)17(21)20-7-11-23-12-8-20/h1-4,16H,5-12H2 |
InChIKey |
CYKVGIAUSNVTNK-UHFFFAOYSA-N |
Molecular Weight |
315.373 g/mol |
SMILES |
C(C=1C(C(N2CCOCC2)C#N)=CC=CC1)(N1CCOCC1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.823096 |