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thiourea, N-(4-benzoylbenzoyl)-N'-(1,2-dihydro-5-acenaphthylenyl)-

View entire compound with spectra: 2 NMR

thiourea, N-(4-benzoylbenzoyl)-N'-(1,2-dihydro-5-acenaphthylenyl)-
SpectraBase Compound ID BAvY8Mc8zE9
InChI InChI=1S/C27H20N2O2S/c30-25(19-5-2-1-3-6-19)20-11-13-21(14-12-20)26(31)29-27(32)28-23-16-15-18-10-9-17-7-4-8-22(23)24(17)18/h1-8,11-16H,9-10H2,(H2,28,29,31,32)
InChIKey HEBPGDROEQGVSB-UHFFFAOYSA-N
Mol Weight 436.53 g/mol
Molecular Formula C27H20N2O2S
Exact Mass 436.124549 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DtjSwC8en2E
Name Thiourea, N-(4-benzoylbenzoyl)-N'-(1,2-dihydro-5-acenaphthylenyl)-
Comments Computed using HOSE algorithm
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Exact Mass 436.124549064 u
Formula C27H20N2O2S
InChI InChI=1S/C27H20N2O2S/c30-25(19-5-2-1-3-6-19)20-11-13-21(14-12-20)26(31)29-27(32)28-23-16-15-18-10-9-17-7-4-8-22(23)24(17)18/h1-8,11-16H,9-10H2,(H2,28,29,31,32)
InChIKey HEBPGDROEQGVSB-UHFFFAOYSA-N
Molecular Weight 436.529 g/mol
SMILES N(C(NC=1C2=C3C(CCC3=CC1)=CC=C2)=S)C(C1=CC=C(C(=O)C=2C=CC=CC2)C=C1)=O