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2-{4-methoxy-3-[(3-nitro-1H-pyrazol-1-yl)methyl]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID 4zR3BstJg9V
InChI InChI=1S/C21H19N5O4S/c1-30-15-7-6-12(10-13(15)11-25-9-8-17(24-25)26(28)29)19-22-20(27)18-14-4-2-3-5-16(14)31-21(18)23-19/h6-10H,2-5,11H2,1H3,(H,22,23,27)
InChIKey PGMIBNOYPDAVAI-UHFFFAOYSA-N
Mol Weight 437.47 g/mol
Molecular Formula C21H19N5O4S
Exact Mass 437.115775 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6iZFWyGNGCF
Name 2-{4-methoxy-3-[(3-nitro-1H-pyrazol-1-yl)methyl]phenyl}-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/C21H19N5O4S/c1-30-15-7-6-12(10-13(15)11-25-9-8-17(24-25)26(28)29)19-22-20(27)18-14-4-2-3-5-16(14)31-21(18)23-19/h6-10H,2-5,11H2,1H3,(H,22,23,27)
InChIKey PGMIBNOYPDAVAI-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_31209
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: 1741163; SBI_ID: SBI-031213
Temperature 308 °C