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N-[2-(4-Chlorophenyl)amino-5,6,7,8-tetrahydrobenzothieno[2,3-d]pyrimidin-4(3H)-on-3-yl]iminotriphenylphosphorane
SpectraBase Compound ID DVaEMfOD4yd
InChI InChI=1S/C34H28ClN4OPS/c35-24-20-22-25(23-21-24)36-34-37-32-31(29-18-10-11-19-30(29)42-32)33(40)39(34)38-41(26-12-4-1-5-13-26,27-14-6-2-7-15-27)28-16-8-3-9-17-28/h1-9,12-17,20-23H,10-11,18-19H2,(H,36,37)
InChIKey LJXFEGJGVGAFLI-UHFFFAOYSA-N
Mol Weight 607.1 g/mol
Molecular Formula C34H28ClN4OPS
Exact Mass 606.140997 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FElZVWR36KH
Name N-[2-(4-Chlorophenyl)amino-5,6,7,8-tetrahydrobenzothieno[2,3-d]pyrimidin-4(3H)-on-3-yl]iminotriphenylphosphorane
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Formula C34H28ClN4OPS
InChI InChI=1S/C34H28ClN4OPS/c35-24-20-22-25(23-21-24)36-34-37-32-31(29-18-10-11-19-30(29)42-32)33(40)39(34)38-41(26-12-4-1-5-13-26,27-14-6-2-7-15-27)28-16-8-3-9-17-28/h1-9,12-17,20-23H,10-11,18-19H2,(H,36,37)
InChIKey LJXFEGJGVGAFLI-UHFFFAOYSA-N
Molecular Weight 607.112 g/mol
SMILES N(C=1N(C(c2c(sc3c2CCCC3)N1)=O)N=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(cc1)Cl
SPLASH splash10-08gi-0890002000-1966d350ba283df951d7
Source of Spectrum CV-2005-1603-5
Synonyms 2-(4-Chloroanilino)-3-[(triphenylphosphoranylidene)amino]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Wiley ID 1611754