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Diethyl 9-benzoyl-1,2,3,4-tetrahydro-9H-carbazole-2.alpha.,3.beta.-dicarboxylate

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Diethyl 9-benzoyl-1,2,3,4-tetrahydro-9H-carbazole-2.alpha.,3.beta.-dicarboxylate
SpectraBase Compound ID LrkibpS9vjf
InChI InChI=1S/C25H25NO5/c1-3-30-24(28)19-14-18-17-12-8-9-13-21(17)26(23(27)16-10-6-5-7-11-16)22(18)15-20(19)25(29)31-4-2/h5-13,19-20H,3-4,14-15H2,1-2H3/t19-,20-/m0/s1
InChIKey PVRHFLIMNMAXPE-PMACEKPBSA-N
Mol Weight 419.48 g/mol
Molecular Formula C25H25NO5
Exact Mass 419.173273 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EsuhEbrO4cK
Name Diethyl 9-benzoyl-1,2,3,4-tetrahydro-9H-carbazole-2.alpha.,3.beta.-dicarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 419.173272904 u
Formula C25H25NO5
InChI InChI=1S/C25H25NO5/c1-3-30-24(28)19-14-18-17-12-8-9-13-21(17)26(23(27)16-10-6-5-7-11-16)22(18)15-20(19)25(29)31-4-2/h5-13,19-20H,3-4,14-15H2,1-2H3/t19-,20-/m0/s1
InChIKey PVRHFLIMNMAXPE-PMACEKPBSA-N
Molecular Weight 419.477 g/mol
SMILES C1=2N(C=3C(C2C[C@@]([C@](C1)(C(=O)OCC)[H])(C(=O)OCC)[H])=CC=CC3)C(=O)C1=CC=CC=C1