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7-[(2E)-3-chloro-2-butenyl]-8-[(3-hydroxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 1fldxgAZOQ7
InChI InChI=1S/C14H20ClN5O3/c1-9(15)5-7-20-10-11(17-13(20)16-6-4-8-21)18(2)14(23)19(3)12(10)22/h5,21H,4,6-8H2,1-3H3,(H,16,17)/b9-5+
InChIKey WCTZYERUCKMLCH-WEVVVXLNSA-N
Mol Weight 341.8 g/mol
Molecular Formula C14H20ClN5O3
Exact Mass 341.125467 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CfgmH8rtkIZ
Name 7-[(2E)-3-chloro-2-butenyl]-8-[(3-hydroxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C14H20ClN5O3/c1-9(15)5-7-20-10-11(17-13(20)16-6-4-8-21)18(2)14(23)19(3)12(10)22/h5,21H,4,6-8H2,1-3H3,(H,16,17)/b9-5+
InChIKey WCTZYERUCKMLCH-WEVVVXLNSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25060
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D49478; Labnumber: UZROM-3815; SBI_ID: SBI-025064
Synonyms 7-[3-chloro-2-butenyl]-8-[(3-hydroxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Temperature 308 °C