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(6Z)-6-{4-[2-(2-sec-butylphenoxy)ethoxy]benzylidene}-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID JSpK3sQJuKE
InChI InChI=1S/C26H28N4O3S/c1-4-17(3)20-8-6-7-9-22(20)33-15-14-32-19-12-10-18(11-13-19)16-21-24(27)30-26(28-25(21)31)34-23(5-2)29-30/h6-13,16-17,27H,4-5,14-15H2,1-3H3/b21-16-,27-24?
InChIKey UBDWAVHVHDIFKT-FWMAWXJYSA-N
Mol Weight 476.6 g/mol
Molecular Formula C26H28N4O3S
Exact Mass 476.188212 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9kih126VpUy
Name (6Z)-6-{4-[2-(2-sec-butylphenoxy)ethoxy]benzylidene}-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-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 476.188211949 u
Formula C26H28N4O3S
InChI InChI=1S/C26H28N4O3S/c1-4-17(3)20-8-6-7-9-22(20)33-15-14-32-19-12-10-18(11-13-19)16-21-24(27)30-26(28-25(21)31)34-23(5-2)29-30/h6-13,16-17,27H,4-5,14-15H2,1-3H3/b21-16-,27-24?
InChIKey UBDWAVHVHDIFKT-FWMAWXJYSA-N
Molecular Weight 476.595 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_22
Solvent DMSO-d6
Source Vendor ID: NMR/12259670