2-butenoic acid, 4-[[4-[(1,1,2,2,3,3,3-heptafluoropropyl)thio]phenyl]amino]-4-oxo-, (2E)-

SpectraBase Compound ID	L6stRuKL8US
InChI	InChI=1S/C13H8F7NO3S/c14-11(15,12(16,17)18)13(19,20)25-8-3-1-7(2-4-8)21-9(22)5-6-10(23)24/h1-6H,(H,21,22)(H,23,24)/b6-5+
InChIKey	PJMJPLPCWSRRDH-AATRIKPKSA-N Google Search
Mol Weight	391.26 g/mol
Molecular Formula	C13H8F7NO3S
Exact Mass	391.011311 g/mol

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SpectraBase Spectrum ID	5wfb1DlSTXj
Name	2-butenoic acid, 4-[[4-[(1,1,2,2,3,3,3-heptafluoropropyl)thio]phenyl]amino]-4-oxo-, (2E)-
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/C13H8F7NO3S/c14-11(15,12(16,17)18)13(19,20)25-8-3-1-7(2-4-8)21-9(22)5-6-10(23)24/h1-6H,(H,21,22)(H,23,24)/b6-5+
InChIKey	PJMJPLPCWSRRDH-AATRIKPKSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_1276
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: F08342; Labnumber: DRAP-00272