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

SpectraBase Compound ID	ASweDlbYsRW
InChI	InChI=1S/C13H14O3S/c1-2-5-17-8-9-3-4-11-10(6-9)7-12(16-11)13(14)15/h3-4,6-7H,2,5,8H2,1H3,(H,14,15)
InChIKey	MXRWBLUUBRISOS-UHFFFAOYSA-N Google Search
Mol Weight	250.31 g/mol
Molecular Formula	C13H14O3S
Exact Mass	250.066365 g/mol

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SpectraBase Spectrum ID	DeV9C2Szp7s
Name	2-benzofurancarboxylic acid, 5-[(propylthio)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/C13H14O3S/c1-2-5-17-8-9-3-4-11-10(6-9)7-12(16-11)13(14)15/h3-4,6-7H,2,5,8H2,1H3,(H,14,15)
InChIKey	MXRWBLUUBRISOS-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_3517_3490
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/11249490