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TRANS-5-METHYL-6-OXOCYCLOHEPTA-[B]-INDOLE-8,10-DICARBONITRILE
SpectraBase Compound ID 1rMHB4xXxw2
InChI InChI=1S/C16H13N3O/c1-19-13-5-3-2-4-12(13)15-11(9-18)6-10(8-17)7-14(20)16(15)19/h2-5,10-11H,6-7H2,1H3/t10-,11+/m1/s1
InChIKey JDSGLRFHLKZNDL-MNOVXSKESA-N
Mol Weight 263.3 g/mol
Molecular Formula C16H13N3O
Exact Mass 263.105862 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HlgisnG3vAQ
Name TRANS-5-METHYL-6-OXOCYCLOHEPTA-[B]-INDOLE-8,10-DICARBONITRILE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H13N3O
InChI InChI=1S/C16H13N3O/c1-19-13-5-3-2-4-12(13)15-11(9-18)6-10(8-17)7-14(20)16(15)19/h2-5,10-11H,6-7H2,1H3/t10-,11+/m1/s1
InChIKey JDSGLRFHLKZNDL-MNOVXSKESA-N
Literature Reference Author M.L.BENNASAR,T.ROCA,R.GRIERA,J.BOSCH
Literature Reference Citation J.ORG.CHEM.,66,7547(2001)
Literature Reference DOI 10.1021/jo015905p
Molecular Weight 263.299 g/mol
Solvent CDCl3
Source File Reference UWLU28590