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8-hexahydro-1H-azepin-1-yl-7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

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8-hexahydro-1H-azepin-1-yl-7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID EfrZLrXWIXr
InChI InChI=1S/C22H29N5O4/c1-24-19-18(20(29)25(2)22(24)30)27(21(23-19)26-12-8-3-4-9-13-26)14-16(28)15-31-17-10-6-5-7-11-17/h5-7,10-11,16,28H,3-4,8-9,12-15H2,1-2H3
InChIKey YNARQTRGBVMTCM-UHFFFAOYSA-N
Mol Weight 427.51 g/mol
Molecular Formula C22H29N5O4
Exact Mass 427.221954 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1Pu8NSvqFhn
Name 8-hexahydro-1H-azepin-1-yl-7-(2-hydroxy-3-phenoxypropyl)-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/C22H29N5O4/c1-24-19-18(20(29)25(2)22(24)30)27(21(23-19)26-12-8-3-4-9-13-26)14-16(28)15-31-17-10-6-5-7-11-17/h5-7,10-11,16,28H,3-4,8-9,12-15H2,1-2H3
InChIKey YNARQTRGBVMTCM-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25282
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: D49636; Labnumber: UZROM-4031; SBI_ID: SBI-025286
Temperature 318 °C