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2-METHYL-4H-3,1-BENZOXATHIIN-2-CARBOXYLIC-ACID,METHYLESTER
SpectraBase Compound ID 1kJoxqyj3vD
InChI InChI=1S/C11H12O3S/c1-11(10(12)13-2)14-7-8-5-3-4-6-9(8)15-11/h3-6H,7H2,1-2H3
InChIKey LZXWIPZLMVGJQU-UHFFFAOYSA-N
Mol Weight 224.27 g/mol
Molecular Formula C11H12O3S
Exact Mass 224.050715 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KL5SJ2utHRt
Name 2-METHYL-4H-3,1-BENZOXATHIIN-2-CARBOXYLIC-ACID,METHYLESTER
CAS Registry Number 124921-58-0
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H12O3S
InChI InChI=1S/C11H12O3S/c1-11(10(12)13-2)14-7-8-5-3-4-6-9(8)15-11/h3-6H,7H2,1-2H3
InChIKey LZXWIPZLMVGJQU-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 224.274 g/mol
Solvent CDCl3
Source File Reference UWED11050