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5-ACETYL-3-METHYL-1,1-[BIS-(METHYLTHIO)]-1,2,3,6-TETRAHYDRO-2,6-METHANOAZOCINO-[4,5-B]-INDOLE
SpectraBase Compound ID 2k4bcS9DGf7
InChI InChI=1S/C19H22N2OS2/c1-11(22)14-10-21(2)16-9-13(14)17-12-7-5-6-8-15(12)20-18(17)19(16,23-3)24-4/h5-8,10,13,16,20H,9H2,1-4H3/t13-,16-/m1/s1
InChIKey BDLQHJCACPXCFQ-CZUORRHYSA-N
Mol Weight 358.52 g/mol
Molecular Formula C19H22N2OS2
Exact Mass 358.117356 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bp0iitxqU7d
Name 5-ACETYL-3-METHYL-1,1-[BIS-(METHYLTHIO)]-1,2,3,6-TETRAHYDRO-2,6-METHANOAZOCINO-[4,5-B]-INDOLE
Compound Number 10 F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H22N2OS2
InChI InChI=1S/C19H22N2OS2/c1-11(22)14-10-21(2)16-9-13(14)17-12-7-5-6-8-15(12)20-18(17)19(16,23-3)24-4/h5-8,10,13,16,20H,9H2,1-4H3/t13-,16-/m1/s1
InChIKey BDLQHJCACPXCFQ-CZUORRHYSA-N
Literature Reference Author M.L.BENNASAR,E.ZULAICA,J.BOSCH
Literature Reference Citation J.ORG.CHEM.,57,2835(1992)
Literature Reference DOI 10.1021/jo00036a015
Molecular Weight 358.516 g/mol
Solvent CDCl3
Source File Reference UWCS3929