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5-methyl-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]-4-[(4-nitrophenoxy)methyl]-3-isoxazolecarboxamide
SpectraBase Compound ID 6c3BHUMWkWM
InChI InChI=1S/C20H16N4O7S2/c1-11-15(10-30-13-5-3-12(4-6-13)24(26)27)18(23-31-11)19(25)22-20-21-16-8-7-14(33(2,28)29)9-17(16)32-20/h3-9H,10H2,1-2H3,(H,21,22,25)
InChIKey QVLOOSFETRIDKY-UHFFFAOYSA-N
Mol Weight 488.49 g/mol
Molecular Formula C20H16N4O7S2
Exact Mass 488.046041 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2q2OvcmqUkd
Name 5-methyl-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]-4-[(4-nitrophenoxy)methyl]-3-isoxazolecarboxamide
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/C20H16N4O7S2/c1-11-15(10-30-13-5-3-12(4-6-13)24(26)27)18(23-31-11)19(25)22-20-21-16-8-7-14(33(2,28)29)9-17(16)32-20/h3-9H,10H2,1-2H3,(H,21,22,25)
InChIKey QVLOOSFETRIDKY-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_33828
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: 1996609; SBI_ID: SBI-033832
Temperature 318 °C