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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 5,6-dihydro-5-imino-6-[[3-methoxy-4-[2-[(4-methylphenyl)thio]ethoxy]phenyl]methylene]-2-(1-methylethyl)-,
SpectraBase Compound ID IlwmhSkDVW5
InChI InChI=1S/C25H26N4O3S2/c1-15(2)24-28-29-22(26)19(23(30)27-25(29)34-24)13-17-7-10-20(21(14-17)31-4)32-11-12-33-18-8-5-16(3)6-9-18/h5-10,13-15,26H,11-12H2,1-4H3/b19-13-,26-22?
InChIKey JWTRVFFCWHORLZ-VZKFJVGXSA-N
Mol Weight 494.63 g/mol
Molecular Formula C25H26N4O3S2
Exact Mass 494.144633 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BmB0vWyhqkd
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 5,6-dihydro-5-imino-6-[[3-methoxy-4-[2-[(4-methylphenyl)thio]ethoxy]phenyl]methylene]-2-(1-methylethyl)-,
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 494.144633058 u
Formula C25H26N4O3S2
InChI InChI=1S/C25H26N4O3S2/c1-15(2)24-28-29-22(26)19(23(30)27-25(29)34-24)13-17-7-10-20(21(14-17)31-4)32-11-12-33-18-8-5-16(3)6-9-18/h5-10,13-15,26H,11-12H2,1-4H3/b19-13-,26-22?
InChIKey JWTRVFFCWHORLZ-VZKFJVGXSA-N
Molecular Weight 494.628 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17029
Solvent DMSO-d6
Source Vendor ID: ZI/10031209; Lab Info: CEP; Lab Number: CEP-6700512