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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

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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bs5dKwe5X2T
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
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 567.064982435 u
Formula C27H26BrN3O2S2
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
Molecular Weight 568.548 g/mol
SMILES N(C=1C(=CC(=CC1C)C)C)C(CSC=1N(C(C2=C(N1)SC1=C2CCCC1)=O)C1=CC=C(C=C1)Br)=O