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5-(4-tert-butylphenyl)-6-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione

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5-(4-tert-butylphenyl)-6-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
SpectraBase Compound ID 9hF3p8e6fq6
InChI InChI=1S/C22H29N3O5/c1-21(2,3)15-8-6-14(7-9-15)18-17-16(23(4)20(30)24(5)19(17)29)10-25(18)22(11-26,12-27)13-28/h6-10,26-28H,11-13H2,1-5H3
InChIKey YIOUWVASWGPHPP-UHFFFAOYSA-N
Mol Weight 415.49 g/mol
Molecular Formula C22H29N3O5
Exact Mass 415.210721 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LWhVCP2xXwL
Name 5-(4-tert-butylphenyl)-6-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-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/C22H29N3O5/c1-21(2,3)15-8-6-14(7-9-15)18-17-16(23(4)20(30)24(5)19(17)29)10-25(18)22(11-26,12-27)13-28/h6-10,26-28H,11-13H2,1-5H3
InChIKey YIOUWVASWGPHPP-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_28458
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: D85883; Labnumber: SC_0129-1161; SBI_ID: SBI-028462
Temperature 318 °C