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ethyl 2-(5-bromo-2-hydroxyphenyl)-4-oxo-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
SpectraBase Compound ID 7d1XF3hu7Wt
InChI InChI=1S/C18H18BrN3O4S/c1-2-26-18(25)22-6-5-10-13(8-22)27-17-14(10)16(24)20-15(21-17)11-7-9(19)3-4-12(11)23/h3-4,7,15,21,23H,2,5-6,8H2,1H3,(H,20,24)
InChIKey BHBAZUZASBSVAX-UHFFFAOYSA-N
Mol Weight 452.32 g/mol
Molecular Formula C18H18BrN3O4S
Exact Mass 451.02014 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1VE5gNNx5WR
Name ethyl 2-(5-bromo-2-hydroxyphenyl)-4-oxo-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
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/C18H18BrN3O4S/c1-2-26-18(25)22-6-5-10-13(8-22)27-17-14(10)16(24)20-15(21-17)11-7-9(19)3-4-12(11)23/h3-4,7,15,21,23H,2,5-6,8H2,1H3,(H,20,24)
InChIKey BHBAZUZASBSVAX-UHFFFAOYSA-N
NMR Offset 15.3548
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_UBI_21270_6316
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent CDCl3
Source File Reference VendorID: 62832; UBI_ID: UBI-006318
Temperature 318 °C