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2-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID LR5dTUvwxfl
InChI InChI=1S/C24H21BrN2O3S/c1-29-19-11-6-14(12-15(19)13-30-17-9-7-16(25)8-10-17)22-26-23(28)21-18-4-2-3-5-20(18)31-24(21)27-22/h6-12H,2-5,13H2,1H3,(H,26,27,28)
InChIKey ZFFAQSPGBRAQCO-UHFFFAOYSA-N
Mol Weight 497.41 g/mol
Molecular Formula C24H21BrN2O3S
Exact Mass 496.045627 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ClJ2r36u8ny
Name 2-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
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/C24H21BrN2O3S/c1-29-19-11-6-14(12-15(19)13-30-17-9-7-16(25)8-10-17)22-26-23(28)21-18-4-2-3-5-20(18)31-24(21)27-22/h6-12H,2-5,13H2,1H3,(H,26,27,28)
InChIKey ZFFAQSPGBRAQCO-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_29779
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: 1265364; SBI_ID: SBI-029783
Temperature 306 °C