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(RAC)-3-BENZOYL-1,2,3,10B-TETRAHYDRO-PYRROLO-[2,1-A]-ISOQUINOLINE-1,2-DICARBONITRILE;MAJOR-DIASTEREOISOMER
SpectraBase Compound ID Aa4FcH6GQaF
InChI InChI=1S/C21H15N3O/c22-12-17-18(13-23)20(21(25)15-7-2-1-3-8-15)24-11-10-14-6-4-5-9-16(14)19(17)24/h1-11,17-20H/t17-,18-,19-,20+/m0/s1
InChIKey ZXXQHIZONCRTHR-LWYYNNOASA-N
Mol Weight 325.37 g/mol
Molecular Formula C21H15N3O
Exact Mass 325.121512 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2K8xr7etLQv
Name (RAC)-3-BENZOYL-1,2,3,10B-TETRAHYDRO-PYRROLO-[2,1-A]-ISOQUINOLINE-1,2-DICARBONITRILE;MAJOR-DIASTEREOISOMER
Compound Number 4C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H15N3O
InChI InChI=1S/C21H15N3O/c22-12-17-18(13-23)20(21(25)15-7-2-1-3-8-15)24-11-10-14-6-4-5-9-16(14)19(17)24/h1-11,17-20H/t17-,18-,19-,20+/m0/s1
InChIKey ZXXQHIZONCRTHR-LWYYNNOASA-N
Literature Reference Author D.S.ALLGAEUER,H.MAYR
Literature Reference Citation EUR.J.ORG.CHEM.,2014,2956(2014)
Literature Reference DOI 10.1002/ejoc.201301779
Molecular Weight 325.370 g/mol
Solvent DMSO-D6
Source File Reference UWIR19852