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acetic acid [[5-(4-chloro-1,3-benzothiazol-2-yl)-2-furyl]-cyano-methyl] ester
SpectraBase Compound ID AkbU4sywmBT
InChI InChI=1S/C15H9ClN2O3S/c1-8(19)20-12(7-17)10-5-6-11(21-10)15-18-14-9(16)3-2-4-13(14)22-15/h2-6,12H,1H3
InChIKey TUVXKNBBSKRIMK-UHFFFAOYSA-N
Mol Weight 332.76 g/mol
Molecular Formula C15H9ClN2O3S
Exact Mass 332.002241 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Qpx8Iut6Ox
Name acetic acid [[5-(4-chloro-1,3-benzothiazol-2-yl)-2-furyl]-cyano-methyl] ester
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H9ClN2O3S
InChI InChI=1S/C15H9ClN2O3S/c1-8(19)20-12(7-17)10-5-6-11(21-10)15-18-14-9(16)3-2-4-13(14)22-15/h2-6,12H,1H3
InChIKey TUVXKNBBSKRIMK-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2008)
Molecular Weight 332.761 g/mol
Source File Reference MHKO17919