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7-(3-Chlorobenzyl)-8-(4-chloro-2-cyclohexyl-phenoxy)-1,3-dimethyl-xanthine

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7-(3-Chlorobenzyl)-8-(4-chloro-2-cyclohexyl-phenoxy)-1,3-dimethyl-xanthine
SpectraBase Compound ID HpPmcLXcvHU
InChI InChI=1S/C26H26Cl2N4O3/c1-30-23-22(24(33)31(2)26(30)34)32(15-16-7-6-10-18(27)13-16)25(29-23)35-21-12-11-19(28)14-20(21)17-8-4-3-5-9-17/h6-7,10-14,17H,3-5,8-9,15H2,1-2H3
InChIKey BPYYCTXRVDMPHS-UHFFFAOYSA-N
Mol Weight 513.43 g/mol
Molecular Formula C26H26Cl2N4O3
Exact Mass 512.138196 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AhJORLEQMN2
Name 1H-purine-2,6-dione, 8-(4-chloro-2-cyclohexylphenoxy)-7-[(3-chlorophenyl)methyl]-3,7-dihydro-1,3-dimethyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 512.138196110 u
Formula C26H26Cl2N4O3
InChI InChI=1S/C26H26Cl2N4O3/c1-30-23-22(24(33)31(2)26(30)34)32(15-16-7-6-10-18(27)13-16)25(29-23)35-21-12-11-19(28)14-20(21)17-8-4-3-5-9-17/h6-7,10-14,17H,3-5,8-9,15H2,1-2H3
InChIKey BPYYCTXRVDMPHS-UHFFFAOYSA-N
Molecular Weight 513.425 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_12355
Solvent DMSO-d6
Source Vendor ID: NMR/10272352; Lab Info: SAD; Lab Number: SAD-1902310