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3-[(2,4-Dinitrophenyl)-thio]-indol

View entire compound with spectra: 2 NMR

3-[(2,4-Dinitrophenyl)-thio]-indol
SpectraBase Compound ID 3algCPXVktl
InChI InChI=1S/C14H9N3O4S/c18-16(19)9-5-6-13(12(7-9)17(20)21)22-14-8-15-11-4-2-1-3-10(11)14/h1-8,15H
InChIKey YXQOPKSDGPZMQS-UHFFFAOYSA-N
Mol Weight 315.3 g/mol
Molecular Formula C14H9N3O4S
Exact Mass 315.031377 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5rfFY07wnF0
Name 3-[(2,4-Dinitrophenyl)-thio]-indol
CAS Registry Number 72496-84-5
Comments broad-band decoupling (BB)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H9N3O4S
InChI InChI=1S/C14H9N3O4S/c18-16(19)9-5-6-13(12(7-9)17(20)21)22-14-8-15-11-4-2-1-3-10(11)14/h1-8,15H
InChIKey YXQOPKSDGPZMQS-UHFFFAOYSA-N
Instrument Name SF = 060 MHz
Literature Reference J. Org. Chem. 45, 1688 (1980).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Acetone-D6