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(2R,3R)/(2S,3S)-16-Phenyl-14,15,16-triazadibenzo[j,m]pentacyclo[7.2.2.3(2,8).0(2,8).0(3,7)]hexadeca-10,12,14-triene
SpectraBase Compound ID BzUyaTaCPUs
InChI InChI=1S/C27H23N3/c1-2-9-17(10-3-1)30-27-23-16-8-15-22(23)26(27,28-29-30)24-18-11-4-6-13-20(18)25(27)21-14-7-5-12-19(21)24/h1-7,9-14,22-25H,8,15-16H2/t22-,23+,24-,25+,26+,27+/m0/s1
InChIKey YHQAYTCCXMFQCR-SBMMCKKCSA-N
Mol Weight 389.5 g/mol
Molecular Formula C27H23N3
Exact Mass 389.189198 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2AelE9DApzU
Name (2R,3R)/(2S,3S)-16-PHENYL-14,15,16-TRIAZADIBENZO-[J,M]-PENTACYCLO-[7.2.2.3(2,8).0(2,8).0(3,7)]-HEXADECA-10,12,14-TRIENE
CAS Registry Number 99796-85-7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H23N3
InChI InChI=1S/C27H23N3/c1-2-9-17(10-3-1)30-27-23-16-8-15-22(23)26(27,28-29-30)24-18-11-4-6-13-20(18)25(27)21-14-7-5-12-19(21)24/h1-7,9-14,22-25H,8,15-16H2/t22-,23+,24-,25+,26+,27+/m0/s1
InChIKey YHQAYTCCXMFQCR-SBMMCKKCSA-N
Literature Reference Author K.D.BAUMGART,G.SZEIMIES
Literature Reference Citation CHEM.BER.,119,1432(1986)
Literature Reference DOI 10.1002/cber.19861190429
Molecular Weight 389.500 g/mol
Solvent CDCl3
Source File Reference UWGB1087