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3-ethyl-2-((1E,3Z)-3-(3-ethyloxazolidin-2-ylidene)prop-1-en-1-yl)-4,5-dihydrooxazol-3-ium 4-methylbenzenesulfonate
SpectraBase Compound ID KnoUl8nu8B4
InChI InChI=1S/C13H21N2O2.C7H8O3S/c1-3-14-8-10-16-12(14)6-5-7-13-15(4-2)9-11-17-13;1-6-2-4-7(5-3-6)11(8,9)10/h5-7H,3-4,8-11H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChIKey SEISVVBRZJYBSZ-UHFFFAOYSA-M
Mol Weight 408.51 g/mol
Molecular Formula C20H28N2O5S
Exact Mass 408.171893 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CQvb1mVfoRI
Name 3-ethyl-2-((1E,3Z)-3-(3-ethyloxazolidin-2-ylidene)prop-1-en-1-yl)-4,5-dihydrooxazol-3-ium 4-methylbenzenesulfonate
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/C13H21N2O2.C7H8O3S/c1-3-14-8-10-16-12(14)6-5-7-13-15(4-2)9-11-17-13;1-6-2-4-7(5-3-6)11(8,9)10/h5-7H,3-4,8-11H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChIKey SEISVVBRZJYBSZ-UHFFFAOYSA-M
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_5413
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/11288115