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(2R,3R)/(2S,3S)-16-(4-NITROPHENYL)-14,15,16-TRIAZADIBENZO-[J,M]-PENTACYCLO-[7.2.2.3(2,8).0(2,8).0(3,7)]-HEXADECA-10,12,14-TRIENE

View entire compound with spectra: 1 NMR

(2R,3R)/(2S,3S)-16-(4-NITROPHENYL)-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 22OOZFqueVR
InChI InChI=1S/C27H22N4O2/c32-31(33)17-14-12-16(13-15-17)30-27-23-11-5-10-22(23)26(27,28-29-30)24-18-6-1-3-8-20(18)25(27)21-9-4-2-7-19(21)24/h1-4,6-9,12-15,22-25H,5,10-11H2/t22?,23?,24-,25+,26-,27-/m1/s1
InChIKey LMNSZQLKFOECHJ-HLPGAXPYSA-N
Mol Weight 434.5 g/mol
Molecular Formula C27H22N4O2
Exact Mass 434.174276 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6PQa5jZ9VVr
Name (2R,3R)/(2S,3S)-16-(4-NITROPHENYL)-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 99796-86-8
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H22N4O2
InChI InChI=1S/C27H22N4O2/c32-31(33)17-14-12-16(13-15-17)30-27-23-11-5-10-22(23)26(27,28-29-30)24-18-6-1-3-8-20(18)25(27)21-9-4-2-7-19(21)24/h1-4,6-9,12-15,22-25H,5,10-11H2/t22?,23?,24-,25+,26-,27-/m1/s1
InChIKey LMNSZQLKFOECHJ-HLPGAXPYSA-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 434.497 g/mol
Solvent CDCl3
Source File Reference UWGB1088