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1H-purine-7-propanaminium, N-[(2E)-hexahydro-1-methyl-2H-azepin-2-ylidene]-2,3,6,7-tetrahydro-3-methyl-2,6-dioxo-, chloride

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1H-purine-7-propanaminium, N-[(2E)-hexahydro-1-methyl-2H-azepin-2-ylidene]-2,3,6,7-tetrahydro-3-methyl-2,6-dioxo-, chloride
SpectraBase Compound ID J7JehqzIB4w
InChI InChI=1S/C16H24N6O2.ClH/c1-20-9-5-3-4-7-12(20)17-8-6-10-22-11-18-14-13(22)15(23)19-16(24)21(14)2;/h11H,3-10H2,1-2H3,(H,19,23,24);1H/b17-12+;
InChIKey DSQIRNLEBOUNMW-KCUXUEJTSA-N
Mol Weight 368.87 g/mol
Molecular Formula C16H25ClN6O2
Exact Mass 368.172752 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6yrsLqBG33O
Name 1H-purine-7-propanaminium, N-[(2E)-hexahydro-1-methyl-2H-azepin-2-ylidene]-2,3,6,7-tetrahydro-3-methyl-2,6-dioxo-, chloride
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 368.172751767 u
Formula C16H25ClN6O2
InChI InChI=1S/C16H24N6O2.ClH/c1-20-9-5-3-4-7-12(20)17-8-6-10-22-11-18-14-13(22)15(23)19-16(24)21(14)2;/h11H,3-10H2,1-2H3,(H,19,23,24);1H/b17-12+;
InChIKey DSQIRNLEBOUNMW-KCUXUEJTSA-N
Molecular Weight 368.869 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16935
Solvent DMSO-d6
Source Vendor ID: ZI/10053215; Lab Info: BEV; Lab Number: BEV-0000078