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2-[4-(benzyloxy)phenyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

View entire compound with spectra: 2 NMR

2-[4-(benzyloxy)phenyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID ImrtkPNfTiu
InChI InChI=1S/C23H20N2O2S/c26-22-20-18-8-4-5-9-19(18)28-23(20)25-21(24-22)16-10-12-17(13-11-16)27-14-15-6-2-1-3-7-15/h1-3,6-7,10-13H,4-5,8-9,14H2,(H,24,25,26)
InChIKey LRILKYHLODIIHH-UHFFFAOYSA-N
Mol Weight 388.49 g/mol
Molecular Formula C23H20N2O2S
Exact Mass 388.124549 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2hR5o6Bqgpp
Name 2-[4-(Benzyloxy)phenyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-D]pyrimidin-4(3H)-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 388.124549064 u
Formula C23H20N2O2S
InChI InChI=1S/C23H20N2O2S/c26-22-20-18-8-4-5-9-19(18)28-23(20)25-21(24-22)16-10-12-17(13-11-16)27-14-15-6-2-1-3-7-15/h1-3,6-7,10-13H,4-5,8-9,14H2,(H,24,25,26)
InChIKey LRILKYHLODIIHH-UHFFFAOYSA-N
Molecular Weight 388.485 g/mol
SMILES N1C(C2=C(N=C1C=1C=CC(OCC3=CC=CC=C3)=CC1)SC1=C2CCCC1)=O