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2-METHYL-4H-3,1-BENZOXATHIIN-2-CARBOXYLIC-ACID,ETHYLESTER
SpectraBase Compound ID 1PDhDSTCKhq
InChI InChI=1S/C12H14O3S/c1-3-14-11(13)12(2)15-8-9-6-4-5-7-10(9)16-12/h4-7H,3,8H2,1-2H3
InChIKey YSPMTRUEKRIIKV-UHFFFAOYSA-N
Mol Weight 238.3 g/mol
Molecular Formula C12H14O3S
Exact Mass 238.066365 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 46JWxZePNT7
Name 2-METHYL-4H-3,1-BENZOXATHIIN-2-CARBOXYLIC-ACID,ETHYLESTER
CAS Registry Number 124921-59-1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H14O3S
InChI InChI=1S/C12H14O3S/c1-3-14-11(13)12(2)15-8-9-6-4-5-7-10(9)16-12/h4-7H,3,8H2,1-2H3
InChIKey YSPMTRUEKRIIKV-UHFFFAOYSA-N
Literature Reference Author M.SCHMIDT,H.MEIER,H.P.NIEDERMANN,R.MENGEL
Literature Reference Citation CHEM.BER.,123,1143(1990)
Literature Reference DOI 10.1002/cber.19901230530
Molecular Weight 238.301 g/mol
Solvent CDCl3
Source File Reference UWED11051