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1-(4-Butoxybutyl)-2,3,4,9-tetrahydro-4,9-dioxo-2-(phenylthio)-1H-benz-[F]-indole
SpectraBase Compound ID 2QJ7ttyA9k8
InChI InChI=1S/C27H28N2O3S/c1-2-3-16-32-17-10-9-15-29-24-23(25(30)20-13-7-8-14-21(20)26(24)31)22(18-28)27(29)33-19-11-5-4-6-12-19/h4-8,11-14,22,27H,2-3,9-10,15-17H2,1H3
InChIKey XLYAFCHWHDOBNL-UHFFFAOYSA-N
Mol Weight 460.59 g/mol
Molecular Formula C27H28N2O3S
Exact Mass 460.182064 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3tp4GufFNRQ
Name 1-(4-BUTOXYBUTYL)-2,3,4,9-TETRAHYDRO-4,9-DIOXO-2-(PHENYLTHIO)-1H-BENZ-[F]-INDOLE
Compound Number 50
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H28N2O3S
InChI InChI=1S/C27H28N2O3S/c1-2-3-16-32-17-10-9-15-29-24-23(25(30)20-13-7-8-14-21(20)26(24)31)22(18-28)27(29)33-19-11-5-4-6-12-19/h4-8,11-14,22,27H,2-3,9-10,15-17H2,1H3
InChIKey XLYAFCHWHDOBNL-UHFFFAOYSA-N
Literature Reference Author E.O.M.ORLEMANS,B.H.M.LAMMERINK,F.C.J.M.VANVEGGEL,W.VERBOOM,S .HARKEMA,D.N.REINHOU
Literature Reference Citation J.ORG.CHEM.,53,2278(1988)
Literature Reference DOI 10.1021/jo00245a028
Molecular Weight 460.591 g/mol
Solvent CDCl3
Source File Reference UNIW20967