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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 5,6-dihydro-5-imino-2-(1-methylethyl)-6-[[2-[2-(4-methylphenoxy)ethoxy]-5-nitrophenyl]methylene]-, (6Z)-
SpectraBase Compound ID 4mj9OyWuTwo
InChI InChI=1S/C24H23N5O5S/c1-14(2)23-27-28-21(25)19(22(30)26-24(28)35-23)13-16-12-17(29(31)32)6-9-20(16)34-11-10-33-18-7-4-15(3)5-8-18/h4-9,12-14,25H,10-11H2,1-3H3/b19-13-,25-21?
InChIKey FRXPNSNSQBFGNH-QGUUBAPPSA-N
Mol Weight 493.54 g/mol
Molecular Formula C24H23N5O5S
Exact Mass 493.14199 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID pVrQS9dvDA
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 5,6-dihydro-5-imino-2-(1-methylethyl)-6-[[2-[2-(4-methylphenoxy)ethoxy]-5-nitrophenyl]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 493.141990030 u
Formula C24H23N5O5S
InChI InChI=1S/C24H23N5O5S/c1-14(2)23-27-28-21(25)19(22(30)26-24(28)35-23)13-16-12-17(29(31)32)6-9-20(16)34-11-10-33-18-7-4-15(3)5-8-18/h4-9,12-14,25H,10-11H2,1-3H3/b19-13-,25-21?
InChIKey FRXPNSNSQBFGNH-QGUUBAPPSA-N
Molecular Weight 493.538 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17068
Solvent DMSO-d6
Source Vendor ID: ZI/10031672; Lab Info: CEP; Lab Number: CEP-6700504