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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 5,6-dihydro-5-imino-2-(1-methylethyl)-6-[[4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]phenyl]methylene]-,
SpectraBase Compound ID 3Q3NYxQtppu
InChI InChI=1S/C26H28N4O4S/c1-17(2)25-29-30-23(27)22(24(31)28-26(30)35-25)16-19-6-10-21(11-7-19)34-15-13-32-12-14-33-20-8-4-18(3)5-9-20/h4-11,16-17,27H,12-15H2,1-3H3/b22-16-,27-23?
InChIKey CRWRZVRAVNSDIE-ASFQMBHESA-N
Mol Weight 492.59 g/mol
Molecular Formula C26H28N4O4S
Exact Mass 492.183127 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID C7hShFuJx24
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 5,6-dihydro-5-imino-2-(1-methylethyl)-6-[[4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]phenyl]methylene]-,
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 492.183126568 u
Formula C26H28N4O4S
InChI InChI=1S/C26H28N4O4S/c1-17(2)25-29-30-23(27)22(24(31)28-26(30)35-25)16-19-6-10-21(11-7-19)34-15-13-32-12-14-33-20-8-4-18(3)5-9-20/h4-11,16-17,27H,12-15H2,1-3H3/b22-16-,27-23?
InChIKey CRWRZVRAVNSDIE-ASFQMBHESA-N
Molecular Weight 492.594 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17049
Solvent DMSO-d6
Source Vendor ID: ZI/10033548; Lab Info: CEP; Lab Number: CEP-6700491