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ethanediamide, N~1~-(4-bromo-3-methylphenyl)-N~2~-[3-(4-morpholinyl)propyl]-
SpectraBase Compound ID C1DJVR11bg4
InChI InChI=1S/C16H22BrN3O3/c1-12-11-13(3-4-14(12)17)19-16(22)15(21)18-5-2-6-20-7-9-23-10-8-20/h3-4,11H,2,5-10H2,1H3,(H,18,21)(H,19,22)
InChIKey PUHGMBUASUXTCP-UHFFFAOYSA-N
Mol Weight 384.27 g/mol
Molecular Formula C16H22BrN3O3
Exact Mass 383.084455 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID APHKOaO5e4W
Name ethanediamide, N~1~-(4-bromo-3-methylphenyl)-N~2~-[3-(4-morpholinyl)propyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 383.084454577 u
Formula C16H22BrN3O3
InChI InChI=1S/C16H22BrN3O3/c1-12-11-13(3-4-14(12)17)19-16(22)15(21)18-5-2-6-20-7-9-23-10-8-20/h3-4,11H,2,5-10H2,1H3,(H,18,21)(H,19,22)
InChIKey PUHGMBUASUXTCP-UHFFFAOYSA-N
Molecular Weight 384.274 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6500
Solvent DMSO-d6
Source Vendor ID: NMR/9291272; Lab Info: LP; Lab Number: LP-0200195