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1H-1,4-diazepine-1-carboxamide, N-(3-chlorophenyl)hexahydro-4-(2-pyrimidinyl)-

View entire compound with spectra: 1 NMR

1H-1,4-diazepine-1-carboxamide, N-(3-chlorophenyl)hexahydro-4-(2-pyrimidinyl)-
SpectraBase Compound ID GtT9flkuu96
InChI InChI=1S/C16H18ClN5O/c17-13-4-1-5-14(12-13)20-16(23)22-9-3-8-21(10-11-22)15-18-6-2-7-19-15/h1-2,4-7,12H,3,8-11H2,(H,20,23)
InChIKey CBDYDVWGXPNEDV-UHFFFAOYSA-N
Mol Weight 331.81 g/mol
Molecular Formula C16H18ClN5O
Exact Mass 331.119988 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3iyVTxOq9Ta
Name 1H-1,4-diazepine-1-carboxamide, N-(3-chlorophenyl)hexahydro-4-(2-pyrimidinyl)-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C16H18ClN5O/c17-13-4-1-5-14(12-13)20-16(23)22-9-3-8-21(10-11-22)15-18-6-2-7-19-15/h1-2,4-7,12H,3,8-11H2,(H,20,23)
InChIKey CBDYDVWGXPNEDV-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_6949
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: F28927; Labnumber: NNA-V-17492