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(6Z)-5-imino-6-[(2-methyl-1H-indol-3-yl)methylene]-3-(methylsulfanyl)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
SpectraBase Compound ID EbE3p5LDqsh
InChI InChI=1S/C16H13N5OS2/c1-8-10(9-5-3-4-6-12(9)18-8)7-11-13(17)21-15(19-14(11)22)24-20-16(21)23-2/h3-7,17-18H,1-2H3/b11-7-,17-13?
InChIKey JNKHBUBOVXYTPQ-JPEQSOJWSA-N
Mol Weight 355.43 g/mol
Molecular Formula C16H13N5OS2
Exact Mass 355.056152 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6FiT9PHQAr5
Name (6Z)-5-imino-6-[(2-methyl-1H-indol-3-yl)methylene]-3-(methylsulfanyl)-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 355.056152406 u
Formula C16H13N5OS2
InChI InChI=1S/C16H13N5OS2/c1-8-10(9-5-3-4-6-12(9)18-8)7-11-13(17)21-15(19-14(11)22)24-20-16(21)23-2/h3-7,17-18H,1-2H3/b11-7-,17-13?
InChIKey JNKHBUBOVXYTPQ-JPEQSOJWSA-N
Molecular Weight 355.434 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_160
Solvent DMSO-d6
Source Vendor ID: NMR/12259817