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benzoic acid, 2-[[(4-methyl-2-benzothiazolyl)amino]carbonyl]-3-nitro-
SpectraBase Compound ID KmxA63f5iwi
InChI InChI=1S/C16H11N3O5S/c1-8-4-2-7-11-13(8)17-16(25-11)18-14(20)12-9(15(21)22)5-3-6-10(12)19(23)24/h2-7H,1H3,(H,21,22)(H,17,18,20)
InChIKey YTJYQLAQTUUDFR-UHFFFAOYSA-N
Mol Weight 357.34 g/mol
Molecular Formula C16H11N3O5S
Exact Mass 357.041942 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2UQyDPXP0qc
Name benzoic acid, 2-[[(4-methyl-2-benzothiazolyl)amino]carbonyl]-3-nitro-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 357.041941635 u
Formula C16H11N3O5S
InChI InChI=1S/C16H11N3O5S/c1-8-4-2-7-11-13(8)17-16(25-11)18-14(20)12-9(15(21)22)5-3-6-10(12)19(23)24/h2-7H,1H3,(H,21,22)(H,17,18,20)
InChIKey YTJYQLAQTUUDFR-UHFFFAOYSA-N
Molecular Weight 357.340 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_2680
Solvent DMSO-d6
Source Vendor ID: ZI/9020384; Lab Info: DK; Lab Number: DK-1200115