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

View entire compound with spectra: 1 NMR

3-Methylbenzyl (4-chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetate
SpectraBase Compound ID CHutXY6nm4X
InChI InChI=1S/C17H14ClNO3S/c1-11-4-2-5-12(8-11)10-22-15(20)9-19-16-13(18)6-3-7-14(16)23-17(19)21/h2-8H,9-10H2,1H3
InChIKey HPFYJTSRWGGZAQ-UHFFFAOYSA-N
Mol Weight 347.82 g/mol
Molecular Formula C17H14ClNO3S
Exact Mass 347.038292 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IZlQjv6XgUd
Name 3-Methylbenzyl (4-chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetate
Comments Computed using HOSE algorithm
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Exact Mass 347.038292186 u
Formula C17H14ClNO3S
InChI InChI=1S/C17H14ClNO3S/c1-11-4-2-5-12(8-11)10-22-15(20)9-19-16-13(18)6-3-7-14(16)23-17(19)21/h2-8H,9-10H2,1H3
InChIKey HPFYJTSRWGGZAQ-UHFFFAOYSA-N
Molecular Weight 347.816 g/mol
SMILES C(N1C2=C(C=CC=C2SC1=O)Cl)C(OCC1=CC=CC(=C1)C)=O