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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 5,6-dihydro-5-imino-2-(1-methylethyl)-6-[[5-(2-methyl-4-nitrophenyl)-2-furanyl]methylene]-, (6Z)-
SpectraBase Compound ID 3h9I6v1Sqjs
InChI InChI=1S/C20H17N5O4S/c1-10(2)19-23-24-17(21)15(18(26)22-20(24)30-19)9-13-5-7-16(29-13)14-6-4-12(25(27)28)8-11(14)3/h4-10,21H,1-3H3/b15-9-,21-17?
InChIKey YACZKPRUIJFWBA-ATNGQLTKSA-N
Mol Weight 423.45 g/mol
Molecular Formula C20H17N5O4S
Exact Mass 423.100125 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID RV3DYnkkwc
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 5,6-dihydro-5-imino-2-(1-methylethyl)-6-[[5-(2-methyl-4-nitrophenyl)-2-furanyl]methylene]-, (6Z)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 423.100125217 u
Formula C20H17N5O4S
InChI InChI=1S/C20H17N5O4S/c1-10(2)19-23-24-17(21)15(18(26)22-20(24)30-19)9-13-5-7-16(29-13)14-6-4-12(25(27)28)8-11(14)3/h4-10,21H,1-3H3/b15-9-,21-17?
InChIKey YACZKPRUIJFWBA-ATNGQLTKSA-N
Molecular Weight 423.447 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15613
Solvent DMSO-d6
Source Vendor ID: ZI/10032851; Lab Info: CEP; Lab Number: CEP-6700173