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2-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(4-nitrophenoxy)-1H-isoindole-1,3(2H)-dione
SpectraBase Compound ID 3p2G31aBMgR
InChI InChI=1S/C18H12N4O5S2/c1-2-28-18-20-19-17(29-18)21-15(23)13-8-7-12(9-14(13)16(21)24)27-11-5-3-10(4-6-11)22(25)26/h3-9H,2H2,1H3
InChIKey PLLYOUKEOWNNRK-UHFFFAOYSA-N
Mol Weight 428.44 g/mol
Molecular Formula C18H12N4O5S2
Exact Mass 428.024912 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A6DDWYIJhfq
Name 1H-isoindole-1,3(2H)-dione, 2-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-5-(4-nitrophenoxy)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 428.024911845 u
Formula C18H12N4O5S2
InChI InChI=1S/C18H12N4O5S2/c1-2-28-18-20-19-17(29-18)21-15(23)13-8-7-12(9-14(13)16(21)24)27-11-5-3-10(4-6-11)22(25)26/h3-9H,2H2,1H3
InChIKey PLLYOUKEOWNNRK-UHFFFAOYSA-N
Molecular Weight 428.437 g/mol
NMR Offset 16.0087
NMR Spectrometer Frequency 500.133
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4227
Solvent DMSO-d6
Source Vendor ID: NMR/9264095; Lab Info: LN; Lab Number: LN-000002b