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5-Nitrobenzothiazole

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5-Nitrobenzothiazole
SpectraBase Compound ID dBWy7lFLBC
InChI InChI=1S/C7H4N2O2S/c10-9(11)5-1-2-7-6(3-5)8-4-12-7/h1-4H
InChIKey AEUQLELVLDMMKB-UHFFFAOYSA-N
Mol Weight 180.18 g/mol
Molecular Formula C7H4N2O2S
Exact Mass 179.999349 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1ogXkOBJXUB
Name Benzothiazole, 5-nitro-
CAS Registry Number 2942-07-6
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C7H4N2O2S
InChI InChI=1S/C7H4N2O2S/c10-9(11)5-1-2-7-6(3-5)8-4-12-7/h1-4H
InChIKey AEUQLELVLDMMKB-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Literature Reference R. Faure, J. Elguero, E.J. Vincent, Org. Magn. Resonance 11, 617 (1978).
NMR Standard DMSO-D6
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6