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1,3,4,5-Tetraphenyl-.delta.2-pyrazolin (trans)

View entire compound with spectra: 1 NMR, and 1 FTIR

1,3,4,5-Tetraphenyl-.delta.2-pyrazolin (trans)
SpectraBase Compound ID 5MZROxEMsTQ
InChI InChI=1S/C27H22N2/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)28-29(24-19-11-4-12-20-24)27(25)23-17-9-3-10-18-23/h1-20,25,27H/t25-,27+/m1/s1
InChIKey PAIKLRCZBDBOTL-VPUSJEBWSA-N
Mol Weight 374.49 g/mol
Molecular Formula C27H22N2
Exact Mass 374.178299 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EgCKh4RMypn
Name 1,3,4,5-Tetraphenyl-.delta.2-pyrazolin (trans)
Comments Computed using HOSE algorithm
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Exact Mass 374.178298716 u
Formula C27H22N2
InChI InChI=1S/C27H22N2/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)28-29(24-19-11-4-12-20-24)27(25)23-17-9-3-10-18-23/h1-20,25,27H/t25-,27+/m1/s1
InChIKey PAIKLRCZBDBOTL-VPUSJEBWSA-N
Molecular Weight 374.487 g/mol
SMILES [C@@]1(N(N=C([C@]1(C1=CC=CC=C1)[H])C1=CC=CC=C1)C1=CC=CC=C1)(C1=CC=CC=C1)[H]