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ethyl 2-[5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoate
SpectraBase Compound ID BiJgUhE9bWK
InChI InChI=1S/C27H29N3O4/c1-7-34-25(32)19-10-8-9-11-20(19)30-16-21-22(24(31)29(6)26(33)28(21)5)23(30)17-12-14-18(15-13-17)27(2,3)4/h8-16H,7H2,1-6H3
InChIKey HSSSSTFSXSXCJH-UHFFFAOYSA-N
Mol Weight 459.55 g/mol
Molecular Formula C27H29N3O4
Exact Mass 459.215806 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HZs4s3nKx2q
Name ethyl 2-[5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C27H29N3O4/c1-7-34-25(32)19-10-8-9-11-20(19)30-16-21-22(24(31)29(6)26(33)28(21)5)23(30)17-12-14-18(15-13-17)27(2,3)4/h8-16H,7H2,1-6H3
InChIKey HSSSSTFSXSXCJH-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_27915
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: D79573; Labnumber: SC_0129-1154; SBI_ID: SBI-027919
Temperature 306 °C