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1H-azepine, 1-[6-chloro-2-(hexahydro-1H-azepin-1-yl)-4-pyrimidinyl]hexahydro-
SpectraBase Compound ID 3iRewT1mVIK
InChI InChI=1S/C16H25ClN4/c17-14-13-15(20-9-5-1-2-6-10-20)19-16(18-14)21-11-7-3-4-8-12-21/h13H,1-12H2
InChIKey BPKIYVGDYHFEED-UHFFFAOYSA-N
Mol Weight 308.86 g/mol
Molecular Formula C16H25ClN4
Exact Mass 308.176775 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A08mBZzPTt8
Name 1H-azepine, 1-[6-chloro-2-(hexahydro-1H-azepin-1-yl)-4-pyrimidinyl]hexahydro-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.176774521 u
Formula C16H25ClN4
InChI InChI=1S/C16H25ClN4/c17-14-13-15(20-9-5-1-2-6-10-20)19-16(18-14)21-11-7-3-4-8-12-21/h13H,1-12H2
InChIKey BPKIYVGDYHFEED-UHFFFAOYSA-N
Molecular Weight 308.857 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6427
Solvent DMSO-d6
Source Vendor ID: NMR/9264368; Lab Info: CEP; Lab Number: CEP-9060014