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1H-purine-7-ethanaminium, N-[(2E)-hexahydro-2H-azepin-2-ylidene]-2,3,6,7-tetrahydro-1,3-dimethyl-8-(4-morpholinyl)-2,6-dioxo-, chloride

View entire compound with spectra: 1 NMR

1H-purine-7-ethanaminium, N-[(2E)-hexahydro-2H-azepin-2-ylidene]-2,3,6,7-tetrahydro-1,3-dimethyl-8-(4-morpholinyl)-2,6-dioxo-, chloride
SpectraBase Compound ID IMX3GDFGcUR
InChI InChI=1S/C19H29N7O3.ClH/c1-23-16-15(17(27)24(2)19(23)28)26(18(22-16)25-10-12-29-13-11-25)9-8-21-14-6-4-3-5-7-20-14;/h3-13H2,1-2H3,(H,20,21);1H
InChIKey ZQCLORXXUDBSEG-UHFFFAOYSA-N
Mol Weight 439.95 g/mol
Molecular Formula C19H30ClN7O3
Exact Mass 439.209866 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BUKcb3BFmIr
Name 1H-purine-7-ethanaminium, N-[(2E)-hexahydro-2H-azepin-2-ylidene]-2,3,6,7-tetrahydro-1,3-dimethyl-8-(4-morpholinyl)-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 439.209865551 u
Formula C19H30ClN7O3
InChI InChI=1S/C19H29N7O3.ClH/c1-23-16-15(17(27)24(2)19(23)28)26(18(22-16)25-10-12-29-13-11-25)9-8-21-14-6-4-3-5-7-20-14;/h3-13H2,1-2H3,(H,20,21);1H
InChIKey ZQCLORXXUDBSEG-UHFFFAOYSA-N
Molecular Weight 439.948 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_13752
Solvent DMSO-d6
Source Vendor ID: NMR/10260898; Lab Info: BEV; Lab Number: BEV-0000095