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2-{[3-(4-bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-mesitylacetamide
SpectraBase Compound ID EU0UhTBT1FR
InChI InChI=1S/C27H26BrN3O2S2/c1-15-12-16(2)24(17(3)13-15)29-22(32)14-34-27-30-25-23(20-6-4-5-7-21(20)35-25)26(33)31(27)19-10-8-18(28)9-11-19/h8-13H,4-7,14H2,1-3H3,(H,29,32)
InChIKey HVXFJCPEYZPFNG-UHFFFAOYSA-N
Mol Weight 568.55 g/mol
Molecular Formula C27H26BrN3O2S2
Exact Mass 567.064982 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ierc5qEaHyh
Name 2-{[3-(4-bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-mesitylacetamide
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/C27H26BrN3O2S2/c1-15-12-16(2)24(17(3)13-15)29-22(32)14-34-27-30-25-23(20-6-4-5-7-21(20)35-25)26(33)31(27)19-10-8-18(28)9-11-19/h8-13H,4-7,14H2,1-3H3,(H,29,32)
InChIKey HVXFJCPEYZPFNG-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17098
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: D25512; Labnumber: GRES-04587; SBI_ID: SBI-017101
Temperature 308 °C