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

View entire compound with spectra: 1 NMR

3-Methoxybenzyl (4-chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetate
SpectraBase Compound ID CREWImLh8mq
InChI InChI=1S/C17H14ClNO4S/c1-22-12-5-2-4-11(8-12)10-23-15(20)9-19-16-13(18)6-3-7-14(16)24-17(19)21/h2-8H,9-10H2,1H3
InChIKey VRBMHLLJASHNDG-UHFFFAOYSA-N
Mol Weight 363.82 g/mol
Molecular Formula C17H14ClNO4S
Exact Mass 363.033207 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3wLnzb1j7iO
Name 3-Methoxybenzyl (4-chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetate
Comments Computed using HOSE algorithm
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Exact Mass 363.033206805 u
Formula C17H14ClNO4S
InChI InChI=1S/C17H14ClNO4S/c1-22-12-5-2-4-11(8-12)10-23-15(20)9-19-16-13(18)6-3-7-14(16)24-17(19)21/h2-8H,9-10H2,1H3
InChIKey VRBMHLLJASHNDG-UHFFFAOYSA-N
Molecular Weight 363.815 g/mol
SMILES C(N1C2=C(C=CC=C2SC1=O)Cl)C(OCC1=CC=CC(=C1)OC)=O