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3,3a-(4-Thia-butano)-furo(2,3-D)isoxazol-4-ine
SpectraBase Compound ID 5wxXD4r9EZQ
InChI InChI=1S/C8H9NO2S/c1-2-6-8(12-5-1)7(11-9-6)3-4-10-8/h3-4,7H,1-2,5H2
InChIKey UQWHDFXZPMWFMD-UHFFFAOYSA-N
Mol Weight 183.22 g/mol
Molecular Formula C8H9NO2S
Exact Mass 183.0354 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1TnNoaGISzN
Name 3,3a-(4-Thia-butano)-furo(2,3-D)isoxazol-4-ine
Comments BRUKER WP80 OR VARIAN XL300 SPECTROMETER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H9NO2S
InChI InChI=1S/C8H9NO2S/c1-2-6-8(12-5-1)7(11-9-6)3-4-10-8/h3-4,7H,1-2,5H2
InChIKey UQWHDFXZPMWFMD-UHFFFAOYSA-N
Instrument Name see comment
Literature Reference R. Annunziata, M. Cinquini, F. Cozzi, Tetrahedron 47, 3869 (1991).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3