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benzoic acid, 4-[[[[6-(1,3-dihydro-4-nitro-1,3-dioxo-2H-isoindol-2-yl)-2-benzothiazolyl]thio]acetyl]amino]-, methyl ester

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benzoic acid, 4-[[[[6-(1,3-dihydro-4-nitro-1,3-dioxo-2H-isoindol-2-yl)-2-benzothiazolyl]thio]acetyl]amino]-, methyl ester
SpectraBase Compound ID K0HUJU9yIxb
InChI InChI=1S/C25H16N4O7S2/c1-36-24(33)13-5-7-14(8-6-13)26-20(30)12-37-25-27-17-10-9-15(11-19(17)38-25)28-22(31)16-3-2-4-18(29(34)35)21(16)23(28)32/h2-11H,12H2,1H3,(H,26,30)
InChIKey RLVPOKIOBTYVKJ-UHFFFAOYSA-N
Mol Weight 548.54 g/mol
Molecular Formula C25H16N4O7S2
Exact Mass 548.046041 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3krsAnpryOk
Name benzoic acid, 4-[[[[6-(1,3-dihydro-4-nitro-1,3-dioxo-2H-isoindol-2-yl)-2-benzothiazolyl]thio]acetyl]amino]-, methyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 548.046041212 u
Formula C25H16N4O7S2
InChI InChI=1S/C25H16N4O7S2/c1-36-24(33)13-5-7-14(8-6-13)26-20(30)12-37-25-27-17-10-9-15(11-19(17)38-25)28-22(31)16-3-2-4-18(29(34)35)21(16)23(28)32/h2-11H,12H2,1H3,(H,26,30)
InChIKey RLVPOKIOBTYVKJ-UHFFFAOYSA-N
Molecular Weight 548.544 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_9977
Solvent DMSO-d6
Source Vendor ID: NMR/9253701; Lab Info: LP; Lab Number: LP-0609236