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5,5-Spiroadamantyl-3-(4-nitro-phenyl)-5H-1,4,2-dithiazole

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5,5-Spiroadamantyl-3-(4-nitro-phenyl)-5H-1,4,2-dithiazole
SpectraBase Compound ID CuJsJJom1TH
InChI InChI=1S/C17H18N2O2S2/c20-19(21)15-3-1-12(2-4-15)16-18-23-17(22-16)13-6-10-5-11(8-13)9-14(17)7-10/h1-4,10-11,13-14H,5-9H2
InChIKey LIJPGZYTSKWOFC-UHFFFAOYSA-N
Mol Weight 346.46 g/mol
Molecular Formula C17H18N2O2S2
Exact Mass 346.08097 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BoyZ5pNauEa
Name 5,5-Spiroadamantyl-3-(4-nitro-phenyl)-5H-1,4,2-dithiazole
Comments JEOL FX90Q OR GSX270 SPECTROMETER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H18N2O2S2
InChI InChI=1S/C17H18N2O2S2/c20-19(21)15-3-1-12(2-4-15)16-18-23-17(22-16)13-6-10-5-11(8-13)9-14(17)7-10/h1-4,10-11,13-14H,5-9H2
InChIKey LIJPGZYTSKWOFC-UHFFFAOYSA-N
Instrument Name see comment
Literature Reference K-F. Wai, M.P. Sammes, J. Chem. Soc. Perkin I 183 (1991).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3