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5-(3-METHOXYANILINO)-1,3-DIMETHYL-2,3,4,R-5,T-5A,10,T-10A,11-OCTAHYDRO-1H-CYCLOHEPTO-[G]-QUINAZOLINE-2,4,10-TRIONE

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5-(3-METHOXYANILINO)-1,3-DIMETHYL-2,3,4,R-5,T-5A,10,T-10A,11-OCTAHYDRO-1H-CYCLOHEPTO-[G]-QUINAZOLINE-2,4,10-TRIONE
SpectraBase Compound ID 5oKCCTMCGNN
InChI InChI=1S/C22H23N3O4/c1-24-17-12-16-15(9-4-5-10-18(16)26)20(19(17)21(27)25(2)22(24)28)23-13-7-6-8-14(11-13)29-3/h4-11,15-16,20,23H,12H2,1-3H3/t15-,16-,20+/m1/s1
InChIKey NUBJWCAUYCWOBF-QINHECLXSA-N
Mol Weight 393.44 g/mol
Molecular Formula C22H23N3O4
Exact Mass 393.168856 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DjQ52WGqSKm
Name 5-(3-METHOXYANILINO)-1,3-DIMETHYL-2,3,4,R-5,T-5A,10,T-10A,11-OCTAHYDRO-1H-CYCLOHEPTO-[G]-QUINAZOLINE-2,4,10-TRIONE
Compound Number 6D
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C22H23N3O4/c1-24-17-12-16-15(9-4-5-10-18(16)26)20(19(17)21(27)25(2)22(24)28)23-13-7-6-8-14(11-13)29-3/h4-11,15-16,20,23H,12H2,1-3H3/t15-,16-,20+/m1/s1
InChIKey NUBJWCAUYCWOBF-QINHECLXSA-N
Literature Reference K.IKUNO,T.KOBAYASHI,T.HARADA,M.NOGUCHI,A.KAKEHI J.CHEM.SOC.PERKIN-1,1445(1995)
Solvent Chloroform-d