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5-chloro-3-methylbenzo[b]thiophene-2-acetic acid, p-nitrophenyl ester

View entire compound with spectra: 2 NMR, and 1 FTIR

5-chloro-3-methylbenzo[b]thiophene-2-acetic acid, p-nitrophenyl ester
SpectraBase Compound ID Ia4O7IA9ahs
InChI InChI=1S/C17H12ClNO4S/c1-10-14-8-11(18)2-7-15(14)24-16(10)9-17(20)23-13-5-3-12(4-6-13)19(21)22/h2-8H,9H2,1H3
InChIKey GSWROUFBJXEUPZ-UHFFFAOYSA-N
Mol Weight 361.8 g/mol
Molecular Formula C17H12ClNO4S
Exact Mass 361.017557 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5X7TiqHGNMv
Name 5-CHLORO-3-METHYLBENZO[b]THIOPHENE-2-ACETIC ACID, p-NITROPHENYL ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12ClNO4S
InChI InChI=1S/C17H12ClNO4S/c1-10-14-8-11(18)2-7-15(14)24-16(10)9-17(20)23-13-5-3-12(4-6-13)19(21)22/h2-8H,9H2,1H3
InChIKey GSWROUFBJXEUPZ-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 122-124C
Molecular Weight 361.81
Solvent CDCl3; Reference=TMS; Temperature 297K