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5-Bromo-4-(3-morpholin-4-yl-propylamino)-2-phenyl-2H-pyridazin-3-one

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

5-Bromo-4-(3-morpholin-4-yl-propylamino)-2-phenyl-2H-pyridazin-3-one
SpectraBase Compound ID 5M5FcMFBBff
InChI InChI=1S/C17H21BrN4O2/c18-15-13-20-22(14-5-2-1-3-6-14)17(23)16(15)19-7-4-8-21-9-11-24-12-10-21/h1-3,5-6,13,19H,4,7-12H2
InChIKey VVSVXTWZBMNJPO-UHFFFAOYSA-N
Mol Weight 393.29 g/mol
Molecular Formula C17H21BrN4O2
Exact Mass 392.084789 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8QPcQup5k4L
Name 5-Bromo-4-(3-morpholin-4-yl-propylamino)-2-phenyl-2H-pyridazin-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 392.084788930 u
Formula C17H21BrN4O2
InChI InChI=1S/C17H21BrN4O2/c18-15-13-20-22(14-5-2-1-3-6-14)17(23)16(15)19-7-4-8-21-9-11-24-12-10-21/h1-3,5-6,13,19H,4,7-12H2
InChIKey VVSVXTWZBMNJPO-UHFFFAOYSA-N
Molecular Weight 393.285 g/mol
SMILES C1(C(=C(Br)C=NN1C=1C=CC=CC1)NCCCN1CCOCC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.807727