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2-(5-Methyl-1,3,4-thiadiazol-2-yl)-5-nitro-1H-isoindole-1,3(2H)-dione

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-(5-Methyl-1,3,4-thiadiazol-2-yl)-5-nitro-1H-isoindole-1,3(2H)-dione
SpectraBase Compound ID I9KgWm8BP3i
InChI InChI=1S/C11H6N4O4S/c1-5-12-13-11(20-5)14-9(16)7-3-2-6(15(18)19)4-8(7)10(14)17/h2-4H,1H3
InChIKey CKKMUHNCERUBPK-UHFFFAOYSA-N
Mol Weight 290.25 g/mol
Molecular Formula C11H6N4O4S
Exact Mass 290.010976 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ImWmFu9sXQ5
Name 1H-isoindole-1,3(2H)-dione, 2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-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 290.010975859 u
Formula C11H6N4O4S
InChI InChI=1S/C11H6N4O4S/c1-5-12-13-11(20-5)14-9(16)7-3-2-6(15(18)19)4-8(7)10(14)17/h2-4H,1H3
InChIKey CKKMUHNCERUBPK-UHFFFAOYSA-N
Molecular Weight 290.253 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_8639
Solvent DMSO-d6
Source Vendor ID: NMR/10210404; Lab Info: LN; Lab Number: LN-0009885