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5,6,7,8-TETRAHYDRO-1,4-BENZOXATHIAN-5-CARBOXYLIC ACID, METHYL ESTER
SpectraBase Compound ID 7oKyKGvXFJe
InChI InChI=1S/C10H14O3S/c1-12-10(11)7-3-2-4-8-9(7)14-6-5-13-8/h7H,2-6H2,1H3
InChIKey NWJKVTBAGFKJDZ-UHFFFAOYSA-N
Mol Weight 214.28 g/mol
Molecular Formula C10H14O3S
Exact Mass 214.066365 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 644mpwiWwAU
Name 7-Carbomethoxy-2-oxa-5-thia-bicyclo(4.4.0)dec-1(4)-ene
CAS Registry Number 74852-50-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H14O3S
InChI InChI=1S/C10H14O3S/c1-12-10(11)7-3-2-4-8-9(7)14-6-5-13-8/h7H,2-6H2,1H3
InChIKey NWJKVTBAGFKJDZ-UHFFFAOYSA-N
Instrument Name Jeol FX-60
Literature Reference B.M. Trost, W.C. Vladuchick, A.J. Bridges, J. Am. Chem. Soc. 102, 3554 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3