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3,3a-(3-Thia-propano)-furo(2,3-D)isoxazol-4-ine
SpectraBase Compound ID AGhPHpNbXvb
InChI InChI=1S/C7H7NO2S/c1-3-9-7-5(2-4-11-7)8-10-6(1)7/h1,3,6H,2,4H2
InChIKey LFCYXVKVCRFRCR-UHFFFAOYSA-N
Mol Weight 169.2 g/mol
Molecular Formula C7H7NO2S
Exact Mass 169.01975 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C1hhXESNv15
Name 3,3a-(3-Thia-propano)-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 C7H7NO2S
InChI InChI=1S/C7H7NO2S/c1-3-9-7-5(2-4-11-7)8-10-6(1)7/h1,3,6H,2,4H2
InChIKey LFCYXVKVCRFRCR-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