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3-ALLYL-5-IODO-7-METHYL-2,2A,3,4,5,6,10B,10C-OCTAHYDRO-1-H-3,6A-DIAZABENZO-[A]-CYCLOPENTA-[CD]-AZULENE
SpectraBase Compound ID GwH6Pu4nsVI
InChI InChI=1S/C18H23IN2/c1-3-9-20-10-13(19)11-21-17-12(2)5-4-6-14(17)15-7-8-16(20)18(15)21/h3-6,13,15-16,18H,1,7-11H2,2H3/t13?,15-,16+,18+/m1/s1
InChIKey GZTBREAZQHDXGL-FISDYWJASA-N
Mol Weight 394.3 g/mol
Molecular Formula C18H23IN2
Exact Mass 394.090594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Csh5l8PlD2Z
Name 3-ALLYL-5-IODO-7-METHYL-2,2A,3,4,5,6,10B,10C-OCTAHYDRO-1-H-3,6A-DIAZABENZO-[A]-CYCLOPENTA-[CD]-AZULENE
Compound Number XVIII
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H23IN2
InChI InChI=1S/C18H23IN2/c1-3-9-20-10-13(19)11-21-17-12(2)5-4-6-14(17)15-7-8-16(20)18(15)21/h3-6,13,15-16,18H,1,7-11H2,2H3/t13?,15-,16+,18+/m1/s1
InChIKey GZTBREAZQHDXGL-FISDYWJASA-N
Literature Reference Author R.R.GATAULLIN,F.F.MINNIGULOV,L.V.SPIRIKHIN,I.B.ABDRAKHMANOV
Literature Reference Citation RUSS.J.ORG.CHEM.,40,986(2004)
Literature Reference DOI 10.1023/B:RUJO.0000045190.75301.70
Molecular Weight 394.299 g/mol
Solvent CDCl3
Source File Reference UWMZ16426