3-[(1-Ethyl-1H-benzimidazol-2-yl)sulfanyl]propanoic acid

SpectraBase Compound ID	LcZdRXfEm55
InChI	InChI=1S/C12H14N2O2S/c1-2-14-10-6-4-3-5-9(10)13-12(14)17-8-7-11(15)16/h3-6H,2,7-8H2,1H3,(H,15,16)
InChIKey	BTPUORIJGQSIMG-UHFFFAOYSA-N Google Search
Mol Weight	250.32 g/mol
Molecular Formula	C12H14N2O2S
Exact Mass	250.077599 g/mol

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SpectraBase Spectrum ID	JUPo8cHreW0
Name	propanoic acid, 3-[(1-ethyl-1H-benzimidazol-2-yl)thio]-
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	250.077598871 u
Formula	C12H14N2O2S
InChI	InChI=1S/C12H14N2O2S/c1-2-14-10-6-4-3-5-9(10)13-12(14)17-8-7-11(15)16/h3-6H,2,7-8H2,1H3,(H,15,16)
InChIKey	BTPUORIJGQSIMG-UHFFFAOYSA-N
Molecular Weight	250.316 g/mol
NMR Offset	17.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_6442
Solvent	DMSO-d6
Source	Vendor ID: NMR/9312063; Lab Info: JSA; Lab Number: JSA-0000066