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(E)-4-(3-methyl-2-thienyl)-1-phenyl-1-triphenylphosphoranylidene-but-3-en-2-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(E)-4-(3-methyl-2-thienyl)-1-phenyl-1-triphenylphosphoranylidene-but-3-en-2-one
SpectraBase Compound ID KHOMZ8MDa2F
InChI InChI=1S/C33H27OPS/c1-26-24-25-36-32(26)23-22-31(34)33(27-14-6-2-7-15-27)35(28-16-8-3-9-17-28,29-18-10-4-11-19-29)30-20-12-5-13-21-30/h2-25H,1H3/b23-22+
InChIKey UIGXXENMKNTPQL-GHVJWSGMSA-N
Mol Weight 502.6 g/mol
Molecular Formula C33H27OPS
Exact Mass 502.152024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 67ardRPAhgX
Name (E)-4-(3-Methyl-2-thienyl)-1-phenyl-1-triphenylphosphoranylidene-but-3-en-2-one
Comments Computed using HOSE algorithm
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Exact Mass 502.152023660 u
Formula C33H27OPS
InChI InChI=1S/C33H27OPS/c1-26-24-25-36-32(26)23-22-31(34)33(27-14-6-2-7-15-27)35(28-16-8-3-9-17-28,29-18-10-4-11-19-29)30-20-12-5-13-21-30/h2-25H,1H3/b23-22+
InChIKey UIGXXENMKNTPQL-GHVJWSGMSA-N
Molecular Weight 502.612 g/mol
SMILES C(=P(C=1C=CC=CC1)(C=1C=CC=CC1)C=1C=CC=CC1)(C(\C=C\C1=C(C=CS1)C)=O)C=1C=CC=CC1