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5-(1-METHYLCYCLOPROPYL)-3-[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]-1,3,4-OXADIAZOLE-2(3H)-THIONE

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5-(1-METHYLCYCLOPROPYL)-3-[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]-1,3,4-OXADIAZOLE-2(3H)-THIONE
SpectraBase Compound ID JVTILihMCGv
InChI InChI=1S/C13H10F3N3O3S/c1-12(4-5-12)10-17-18(11(23)22-10)8-3-2-7(13(14,15)16)6-9(8)19(20)21/h2-3,6H,4-5H2,1H3
InChIKey WYOQUUNLRFZXFI-UHFFFAOYSA-N
Mol Weight 345.3 g/mol
Molecular Formula C13H10F3N3O3S
Exact Mass 345.039497 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L2mPVTcKhuq
Name 5-(1-METHYLCYCLOPROPYL)-3-[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]-1,3,4-OXADIAZOLE-2(3H)-THIONE
Comments HE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H10F3N3O3S
InChI InChI=1S/C13H10F3N3O3S/c1-12(4-5-12)10-17-18(11(23)22-10)8-3-2-7(13(14,15)16)6-9(8)19(20)21/h2-3,6H,4-5H2,1H3
InChIKey WYOQUUNLRFZXFI-UHFFFAOYSA-N
Instrument Name Bruker WM-360
Literature Reference KURT H. PILGRAM (1988) Phosphorus and Sulfur: v.36, N3, 139-146.
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3