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1H-purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8-[[2-[5-methyl-2-(1-methylethyl)phenoxy]ethyl]amino]-
SpectraBase Compound ID F7zScTDgL27
InChI InChI=1S/C20H27N5O3/c1-12(2)14-8-7-13(3)11-15(14)28-10-9-21-19-22-17-16(23(19)4)18(26)25(6)20(27)24(17)5/h7-8,11-12H,9-10H2,1-6H3,(H,21,22)
InChIKey VECQKJYWXFSGIZ-UHFFFAOYSA-N
Mol Weight 385.47 g/mol
Molecular Formula C20H27N5O3
Exact Mass 385.21139 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I3B2CXZ07by
Name 1H-purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8-[[2-[5-methyl-2-(1-methylethyl)phenoxy]ethyl]amino]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 385.211389746 u
Formula C20H27N5O3
InChI InChI=1S/C20H27N5O3/c1-12(2)14-8-7-13(3)11-15(14)28-10-9-21-19-22-17-16(23(19)4)18(26)25(6)20(27)24(17)5/h7-8,11-12H,9-10H2,1-6H3,(H,21,22)
InChIKey VECQKJYWXFSGIZ-UHFFFAOYSA-N
Molecular Weight 385.468 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5047
Solvent DMSO-d6
Source Vendor ID: NMR/9290350; Lab Info: LP; Lab Number: LP-KV01000