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3,4-Dimethoxyphenyl (4-chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetate

View entire compound with spectra: 1 NMR

3,4-Dimethoxyphenyl (4-chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetate
SpectraBase Compound ID KQcssdvE11E
InChI InChI=1S/C17H14ClNO5S/c1-22-12-7-6-10(8-13(12)23-2)24-15(20)9-19-16-11(18)4-3-5-14(16)25-17(19)21/h3-8H,9H2,1-2H3
InChIKey VQZALIAYXCRMCX-UHFFFAOYSA-N
Mol Weight 379.81 g/mol
Molecular Formula C17H14ClNO5S
Exact Mass 379.028121 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3UtDFoU8lqB
Name 3,4-Dimethoxyphenyl (4-chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 379.028121424 u
Formula C17H14ClNO5S
InChI InChI=1S/C17H14ClNO5S/c1-22-12-7-6-10(8-13(12)23-2)24-15(20)9-19-16-11(18)4-3-5-14(16)25-17(19)21/h3-8H,9H2,1-2H3
InChIKey VQZALIAYXCRMCX-UHFFFAOYSA-N
Molecular Weight 379.814 g/mol
SMILES C(N1C2=C(C=CC=C2SC1=O)Cl)C(=O)OC1=CC=C(C(=C1)OC)OC