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sodium (E)-2-oxo-3-(2-oxo-2-(thiophen-2-yl)ethylidene)-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-sulfonate
SpectraBase Compound ID 3KX3yYwVpuq
InChI InChI=1S/C14H9NO6S2.Na/c16-11(13-2-1-5-22-13)7-10-14(17)21-12-4-3-8(23(18,19)20)6-9(12)15-10;/h1-7,15H,(H,18,19,20);/q;+1/p-1/b10-7+;
InChIKey UPZYSBZVLRONIK-HCUGZAAXSA-M
Mol Weight 373.33 g/mol
Molecular Formula C14H8NNaO6S2
Exact Mass 372.969074 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JM3BQKXHcqM
Name sodium (E)-2-oxo-3-(2-oxo-2-(thiophen-2-yl)ethylidene)-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-sulfonate
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/C14H9NO6S2.Na/c16-11(13-2-1-5-22-13)7-10-14(17)21-12-4-3-8(23(18,19)20)6-9(12)15-10;/h1-7,15H,(H,18,19,20);/q;+1/p-1/b10-7+;
InChIKey UPZYSBZVLRONIK-HCUGZAAXSA-M
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_4287
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/17257181; Labnumber: GEI-PFA1671