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2-(3-nitrophenoxy)-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
SpectraBase Compound ID 93ZrZjJZP5P
InChI InChI=1S/C22H17N3O4S/c26-21-19-17-11-4-5-12-18(17)30-20(19)23-22(24(21)14-7-2-1-3-8-14)29-16-10-6-9-15(13-16)25(27)28/h1-3,6-10,13H,4-5,11-12H2
InChIKey CWUJPNBYCKPINO-UHFFFAOYSA-N
Mol Weight 419.46 g/mol
Molecular Formula C22H17N3O4S
Exact Mass 419.093977 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J2ePn09RSEI
Name 2-(3-nitrophenoxy)-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Alternate Name(s) 2-(3-nitrophenoxy)-3-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H17N3O4S
InChI InChI=1S/C22H17N3O4S/c26-21-19-17-11-4-5-12-18(17)30-20(19)23-22(24(21)14-7-2-1-3-8-14)29-16-10-6-9-15(13-16)25(27)28/h1-3,6-10,13H,4-5,11-12H2
InChIKey CWUJPNBYCKPINO-UHFFFAOYSA-N
Molecular Weight 419.455 g/mol
SMILES c12c(N=C(N(C2=O)c2ccccc2)Oc2cc(N(=O)=O)ccc2)sc2c1CCCC2
SPLASH splash10-0giu-0293800000-c40bf1c526ec95a48ab0
Source of Spectrum C5-2004-78-6
Wiley ID 1616356