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1H-purine-7-propanaminium, 2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-8-(1-piperidinyl)-N-[(2E)-pyrrolidinylidene]-, chloride

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1H-purine-7-propanaminium, 2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-8-(1-piperidinyl)-N-[(2E)-pyrrolidinylidene]-, chloride
SpectraBase Compound ID 87mLvuogIOe
InChI InChI=1S/C19H29N7O2.ClH/c1-23-16-15(17(27)24(2)19(23)28)26(13-7-10-21-14-8-6-9-20-14)18(22-16)25-11-4-3-5-12-25;/h3-13H2,1-2H3,(H,20,21);1H
InChIKey UMBNYRHLCGMEAR-UHFFFAOYSA-N
Mol Weight 423.95 g/mol
Molecular Formula C19H30ClN7O2
Exact Mass 423.214951 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AWndJMUFeM9
Name 1H-purine-7-propanaminium, 2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-8-(1-piperidinyl)-N-[(2E)-pyrrolidinylidene]-, 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 423.214950932 u
Formula C19H30ClN7O2
InChI InChI=1S/C19H29N7O2.ClH/c1-23-16-15(17(27)24(2)19(23)28)26(13-7-10-21-14-8-6-9-20-14)18(22-16)25-11-4-3-5-12-25;/h3-13H2,1-2H3,(H,20,21);1H
InChIKey UMBNYRHLCGMEAR-UHFFFAOYSA-N
Molecular Weight 423.949 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_13356
Solvent DMSO-d6
Source Vendor ID: NMR/10260893; Lab Info: BEV; Lab Number: BEV-0000090