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benzo[b]thiophene-3-acetic acid, benzyl ester

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

benzo[b]thiophene-3-acetic acid, benzyl ester
SpectraBase Compound ID FPbqSKVYRdj
InChI InChI=1S/C17H14O2S/c18-17(19-11-13-6-2-1-3-7-13)10-14-12-20-16-9-5-4-8-15(14)16/h1-9,12H,10-11H2
InChIKey QYCBYKDDEPVKMC-UHFFFAOYSA-N
Mol Weight 282.36 g/mol
Molecular Formula C17H14O2S
Exact Mass 282.071451 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KQIQrk00TKA
Name BENZO[b]THIOPHENE-3-ACETIC ACID, BENZYL ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Boiling Point 189C/0.2 mm
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14O2S
InChI InChI=1S/C17H14O2S/c18-17(19-11-13-6-2-1-3-7-13)10-14-12-20-16-9-5-4-8-15(14)16/h1-9,12H,10-11H2
InChIKey QYCBYKDDEPVKMC-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Molecular Weight 282.36
Solvent CDCl3; Reference=TMS; Temperature 297K