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

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1H-purine-7-propanaminium, N-[(2E)-hexahydro-2H-azepin-2-ylidene]-2,3,6,7-tetrahydro-beta-hydroxy-1,3-dimethyl-2,6-dioxo-, chloride
SpectraBase Compound ID 9BWcKZjhMh5
InChI InChI=1S/C16H24N6O3.ClH/c1-20-14-13(15(24)21(2)16(20)25)22(10-19-14)9-11(23)8-18-12-6-4-3-5-7-17-12;/h10-11,23H,3-9H2,1-2H3,(H,17,18);1H
InChIKey UCSNCABVTZDEGX-UHFFFAOYSA-N
Mol Weight 384.87 g/mol
Molecular Formula C16H25ClN6O3
Exact Mass 384.167666 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9503Aw9SX9D
Name 1H-purine-7-propanaminium, N-[(2E)-hexahydro-2H-azepin-2-ylidene]-2,3,6,7-tetrahydro-beta-hydroxy-1,3-dimethyl-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 384.167666386 u
Formula C16H25ClN6O3
InChI InChI=1S/C16H24N6O3.ClH/c1-20-14-13(15(24)21(2)16(20)25)22(10-19-14)9-11(23)8-18-12-6-4-3-5-7-17-12;/h10-11,23H,3-9H2,1-2H3,(H,17,18);1H
InChIKey UCSNCABVTZDEGX-UHFFFAOYSA-N
Molecular Weight 384.868 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14205
Solvent DMSO-d6
Source Vendor ID: NMR/10260858; Lab Info: BEV; Lab Number: BEV-0000043