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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-[2-(4-methylphenoxy)ethoxy]ethoxy]phenyl]methylene]-2-(1-
SpectraBase Compound ID 8YJDDZnSRsl
InChI InChI=1S/C27H30N4O5S/c1-17(2)26-30-31-24(28)21(25(32)29-27(31)37-26)15-19-7-10-22(23(16-19)33-4)36-14-12-34-11-13-35-20-8-5-18(3)6-9-20/h5-10,15-17,28H,11-14H2,1-4H3/b21-15-,28-24?
InChIKey RTNIUJLDLPYSOP-NHQDZBNKSA-N
Mol Weight 522.62 g/mol
Molecular Formula C27H30N4O5S
Exact Mass 522.193691 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KtQqbMzNHSU
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 5,6-dihydro-5-imino-6-[[3-methoxy-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]phenyl]methylene]-2-(1-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 522.193691251 u
Formula C27H30N4O5S
InChI InChI=1S/C27H30N4O5S/c1-17(2)26-30-31-24(28)21(25(32)29-27(31)37-26)15-19-7-10-22(23(16-19)33-4)36-14-12-34-11-13-35-20-8-5-18(3)6-9-20/h5-10,15-17,28H,11-14H2,1-4H3/b21-15-,28-24?
InChIKey RTNIUJLDLPYSOP-NHQDZBNKSA-N
Molecular Weight 522.620 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15615
Solvent DMSO-d6
Source Vendor ID: ZI/10033198; Lab Info: CEP; Lab Number: CEP-6700715