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acetic acid (4-ketothiochroman-3-yl) ester

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acetic acid (4-ketothiochroman-3-yl) ester
SpectraBase Compound ID CMCBg9A3shS
InChI InChI=1S/C11H10O3S/c1-7(12)14-9-6-15-10-5-3-2-4-8(10)11(9)13/h2-5,9H,6H2,1H3
InChIKey QYHJSBVOQFTRQR-UHFFFAOYSA-N
Mol Weight 222.26 g/mol
Molecular Formula C11H10O3S
Exact Mass 222.035065 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2S1dBMZgcbz
Name acetic acid (4-ketothiochroman-3-yl) ester
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H10O3S
InChI InChI=1S/C11H10O3S/c1-7(12)14-9-6-15-10-5-3-2-4-8(10)11(9)13/h2-5,9H,6H2,1H3
InChIKey QYHJSBVOQFTRQR-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2010)
Molecular Weight 222.259 g/mol
Source File Reference MHKO26416