2-benzofurancarboxylic acid, 5-[(pentylthio)methyl]-

SpectraBase Compound ID	A9dWAME2j2h
InChI	InChI=1S/C15H18O3S/c1-2-3-4-7-19-10-11-5-6-13-12(8-11)9-14(18-13)15(16)17/h5-6,8-9H,2-4,7,10H2,1H3,(H,16,17)
InChIKey	FTGFBDBUVGAISG-UHFFFAOYSA-N Google Search
Mol Weight	278.37 g/mol
Molecular Formula	C15H18O3S
Exact Mass	278.097666 g/mol

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SpectraBase Spectrum ID	1b12tON4ej8
Name	2-benzofurancarboxylic acid, 5-[(pentylthio)methyl]-
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C15H18O3S/c1-2-3-4-7-19-10-11-5-6-13-12(8-11)9-14(18-13)15(16)17/h5-6,8-9H,2-4,7,10H2,1H3,(H,16,17)
InChIKey	FTGFBDBUVGAISG-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB3_9000_3609
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: NMR/11278608