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1H-pyrrole, 1-methyl-2,3,4,5-tetraphenyl-
SpectraBase Compound ID BTBDXS41bte
InChI InChI=1S/C29H23N/c1-30-28(24-18-10-4-11-19-24)26(22-14-6-2-7-15-22)27(23-16-8-3-9-17-23)29(30)25-20-12-5-13-21-25/h2-21H,1H3
InChIKey RIPULSYTRIFUGL-UHFFFAOYSA-N
Mol Weight 385.51 g/mol
Molecular Formula C29H23N
Exact Mass 385.18305 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8EtXeCfLZZ3
Name 1H-Pyrrole, 1-methyl-2,3,4,5-tetraphenyl-
Comments Computed using HOSE algorithm
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Exact Mass 385.183049745 u
Formula C29H23N
InChI InChI=1S/C29H23N/c1-30-28(24-18-10-4-11-19-24)26(22-14-6-2-7-15-22)27(23-16-8-3-9-17-23)29(30)25-20-12-5-13-21-25/h2-21H,1H3
InChIKey RIPULSYTRIFUGL-UHFFFAOYSA-N
Molecular Weight 385.510 g/mol
SMILES CN1C(C2=CC=CC=C2)=C(C2=CC=CC=C2)C(=C1C1=CC=CC=C1)C1=CC=CC=C1