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YJZBARRNMZECDB-UHFFFAOYSA-N
SpectraBase Compound ID LdKwGRpq1Es
InChI InChI=1S/C8H12O3S/c9-12(10)6-5-11-7-3-1-2-4-8(7)12/h5-8H,1-4H2
InChIKey YJZBARRNMZECDB-UHFFFAOYSA-N
Mol Weight 188.24 g/mol
Molecular Formula C8H12O3S
Exact Mass 188.050715 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B3FSVowxLWE
Name trans-4a,5,6,7,8,8a-Hexahydro-1,4-benzoxathiin 4,4-dioxide
CAS Registry Number 80345-66-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H12O3S
InChI InChI=1S/C8H12O3S/c9-12(10)6-5-11-7-3-1-2-4-8(7)12/h5-8H,1-4H2
InChIKey YJZBARRNMZECDB-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference R.P. Rooney, J.C. Dyer, S.A.Evans, Org. Magn. Resonance 16, 266 (1981).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported