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7-benzoyl-2,3-dihydrobenzo[b]thiophene-3-carboxylic acid

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

7-benzoyl-2,3-dihydrobenzo[b]thiophene-3-carboxylic acid
SpectraBase Compound ID AeeD2I21ITL
InChI InChI=1S/C16H12O3S/c17-14(10-5-2-1-3-6-10)12-8-4-7-11-13(16(18)19)9-20-15(11)12/h1-8,13H,9H2,(H,18,19)
InChIKey QPZFEQVTVIHDKS-UHFFFAOYSA-N
Mol Weight 284.33 g/mol
Molecular Formula C16H12O3S
Exact Mass 284.050715 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AAMjyPxlLr4
Name 7-BENZOYL-2,3-DIHYDROBENZO[b]THIOPHENE-3-CARBOXYLIC ACID
Source of Sample R. E. Markwell, Beecham Pharmaceuticals, Harlow, Essex, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12O3S
InChI InChI=1S/C16H12O3S/c17-14(10-5-2-1-3-6-10)12-8-4-7-11-13(16(18)19)9-20-15(11)12/h1-8,13H,9H2,(H,18,19)
InChIKey QPZFEQVTVIHDKS-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 153-156C
Molecular Weight 284.34
Solvent Polysol; Reference=TMS; Temperature 297K