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5-chloro-3-methylbenzo[b]thiophene-2-acetic acid, o-chlorophenyl ester

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

5-chloro-3-methylbenzo[b]thiophene-2-acetic acid, o-chlorophenyl ester
SpectraBase Compound ID 6Kate4263X3
InChI InChI=1S/C17H12Cl2O2S/c1-10-12-8-11(18)6-7-15(12)22-16(10)9-17(20)21-14-5-3-2-4-13(14)19/h2-8H,9H2,1H3
InChIKey IAGHRHIHCXXSAI-UHFFFAOYSA-N
Mol Weight 351.25 g/mol
Molecular Formula C17H12Cl2O2S
Exact Mass 349.993506 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5dp1bYSvhVd
Name 5-CHLORO-3-METHYLBENZO[b]THIOPHENE-2-ACETIC ACID, o-CHLOROPHENYL ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12Cl2O2S
InChI InChI=1S/C17H12Cl2O2S/c1-10-12-8-11(18)6-7-15(12)22-16(10)9-17(20)21-14-5-3-2-4-13(14)19/h2-8H,9H2,1H3
InChIKey IAGHRHIHCXXSAI-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 82-84C
Molecular Weight 351.25
Solvent CDCl3; Reference=TMS; Temperature 297K