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(6Z)-5-imino-3-(isobutylsulfanyl)-6-[(5-nitro-2-furyl)methylene]-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
SpectraBase Compound ID 6HZsMBTC2VP
InChI InChI=1S/C14H13N5O4S2/c1-7(2)6-24-14-17-25-13-16-12(20)9(11(15)18(13)14)5-8-3-4-10(23-8)19(21)22/h3-5,7,15H,6H2,1-2H3/b9-5-,15-11?
InChIKey CKUZMWHMRXMYIM-WAVHHOPUSA-N
Mol Weight 379.41 g/mol
Molecular Formula C14H13N5O4S2
Exact Mass 379.040896 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID XtFdd42Iky
Name (6Z)-5-imino-3-(isobutylsulfanyl)-6-[(5-nitro-2-furyl)methylene]-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 379.040896263 u
Formula C14H13N5O4S2
InChI InChI=1S/C14H13N5O4S2/c1-7(2)6-24-14-17-25-13-16-12(20)9(11(15)18(13)14)5-8-3-4-10(23-8)19(21)22/h3-5,7,15H,6H2,1-2H3/b9-5-,15-11?
InChIKey CKUZMWHMRXMYIM-WAVHHOPUSA-N
Molecular Weight 379.409 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_197
Solvent DMSO-d6
Source Vendor ID: NMR/12259855