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7-nitro-5-(trifluoromethyl)-2-benzothiazolecarboxylic acid, ethyl ester, 3-oxide
SpectraBase Compound ID 4Arw2e3j69B
InChI InChI=1S/C11H7F3N2O5S/c1-2-21-10(17)9-15(18)6-3-5(11(12,13)14)4-7(16(19)20)8(6)22-9/h3-4H,2H2,1H3
InChIKey ZPVDQWHMBKZIIM-UHFFFAOYSA-N
Mol Weight 336.24 g/mol
Molecular Formula C11H7F3N2O5S
Exact Mass 336.002777 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BTE792BRiFV
Name ethyl 7-nitro-5-(trifluoromethyl)-1,3-benzothiazole-2-carboxylate 3-oxide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 336.002776991 u
Formula C11H7F3N2O5S
InChI InChI=1S/C11H7F3N2O5S/c1-2-21-10(17)9-15(18)6-3-5(11(12,13)14)4-7(16(19)20)8(6)22-9/h3-4H,2H2,1H3
InChIKey ZPVDQWHMBKZIIM-UHFFFAOYSA-N
Molecular Weight 336.241 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_2766
Solvent DMSO-d6
Source Vendor ID: NMR/12279950