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Morpholine, 4-[2-(cyano-4-morpholinylmethyl)benzoyl]-
SpectraBase Compound ID 9zPKJtVU4r0
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
Mol Weight 315.37 g/mol
Molecular Formula C17H21N3O3
Exact Mass 315.158292 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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