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3,3a-(1-Methyl-3-thia-propano)-furo(2,3-D)isoxazol-4-ine

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3,3a-(1-Methyl-3-thia-propano)-furo(2,3-D)isoxazol-4-ine
SpectraBase Compound ID 39DkGoEG50K
InChI InChI=1S/C8H9NO2S/c1-5-4-12-8-6(2-3-10-8)11-9-7(5)8/h2-3,5-6H,4H2,1H3
InChIKey CPYWINKLEQMJJV-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 Lab56JRBn1d
Name 3,3a-(1-Methyl-3-thia-propano)-furo(2,3-D)isoxazol-4-ine
Comments BRUKER WP80 OR VARIAN XL300 SPECTROMETER, DIASTEREOMER 1
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C8H9NO2S
InChI InChI=1S/C8H9NO2S/c1-5-4-12-8-6(2-3-10-8)11-9-7(5)8/h2-3,5-6H,4H2,1H3
InChIKey CPYWINKLEQMJJV-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