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1-(4-Butoxybutyl)-2,3,4,9-tetrahydro-4,9-dioxo-2-(phenylthio)-1H-benz-[F]-indole

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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 FgbnEPbcrQA
Name 1-(4-Butoxybutyl)-2,3,4,9-tetrahydro-4,9-dioxo-2-(phenylthio)-1H-benz-[F]-indole
CAS Registry Number 114201-27-3
Comments reassigned
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. 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
Instrument Name SF = 200 MHz
Literature Reference J. Org. Chem. 53, 2287 (1988).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3