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1,3-benzodioxole-5-carbothioic acid S-(benzyl) ester

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1,3-benzodioxole-5-carbothioic acid S-(benzyl) ester
SpectraBase Compound ID B5hU8n1dXsd
InChI InChI=1S/C15H12O3S/c16-15(19-9-11-4-2-1-3-5-11)12-6-7-13-14(8-12)18-10-17-13/h1-8H,9-10H2
InChIKey NMMXSEMDEMEKPN-UHFFFAOYSA-N
Mol Weight 272.32 g/mol
Molecular Formula C15H12O3S
Exact Mass 272.050715 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6UrrTCE3S09
Name 1,3-benzodioxole-5-carbothioic acid S-(benzyl) ester
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H12O3S
InChI InChI=1S/C15H12O3S/c16-15(19-9-11-4-2-1-3-5-11)12-6-7-13-14(8-12)18-10-17-13/h1-8H,9-10H2
InChIKey NMMXSEMDEMEKPN-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2007)
Molecular Weight 272.318 g/mol
Source File Reference MHKO11663