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(9aS)-Hexahydrodibenzo[a,c]cyclohexano[b]indolizine-9,12-dione
SpectraBase Compound ID DxvuTpe63Sf
InChI InChI=1S/C20H15NO2/c22-18-10-9-17-20(23)19-15-8-4-3-6-13(15)12-5-1-2-7-14(12)16(19)11-21(17)18/h1-8,17H,9-11H2/t17-/m0/s1
InChIKey KAGRJTPYFQRKIE-KRWDZBQOSA-N
Mol Weight 301.35 g/mol
Molecular Formula C20H15NO2
Exact Mass 301.110279 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Hux5wC7uGtM
Name (9as)-Hexahydrodibenzo[A,C]cyclohexano[B]indolizine-9,12-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 301.110278725 u
Formula C20H15NO2
InChI InChI=1S/C20H15NO2/c22-18-10-9-17-20(23)19-15-8-4-3-6-13(15)12-5-1-2-7-14(12)16(19)11-21(17)18/h1-8,17H,9-11H2/t17-/m0/s1
InChIKey KAGRJTPYFQRKIE-KRWDZBQOSA-N
SMILES [C@@]12(N(CC3=C(C2=O)C=2C=CC=CC2C2=C3C=CC=C2)C(CC1)=O)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.833887