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2-(4-Bromophenyloxy)-3-phenyl-5,6,7,8-tetrahydrobenzothieno[2,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID 3vGBl49dHuX
InChI InChI=1S/C22H17BrN2O2S/c23-14-10-12-16(13-11-14)27-22-24-20-19(17-8-4-5-9-18(17)28-20)21(26)25(22)15-6-2-1-3-7-15/h1-3,6-7,10-13H,4-5,8-9H2
InChIKey NGPUVCXKTQWRRH-UHFFFAOYSA-N
Mol Weight 453.35 g/mol
Molecular Formula C22H17BrN2O2S
Exact Mass 452.019412 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4NyKrVfypa9
Name 2-(4-Bromophenyloxy)-3-phenyl-5,6,7,8-tetrahydrobenzothieno[2,3-d]pyrimidin-4(3H)-one
Alternate Name(s) 2-(4-bromophenoxy)-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H17BrN2O2S
InChI InChI=1S/C22H17BrN2O2S/c23-14-10-12-16(13-11-14)27-22-24-20-19(17-8-4-5-9-18(17)28-20)21(26)25(22)15-6-2-1-3-7-15/h1-3,6-7,10-13H,4-5,8-9H2
InChIKey NGPUVCXKTQWRRH-UHFFFAOYSA-N
Molecular Weight 453.354 g/mol
SMILES c12c(N=C(N(C2=O)c2ccccc2)Oc2ccc(cc2)Br)sc2c1CCCC2
SPLASH splash10-0ufs-5420900000-588f2ffb0d70bee1cf68
Source of Spectrum C5-2004-78-6
Wiley ID 1616354