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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[4-[2-[2-(3,4-dimethylphenoxy)ethoxy]ethoxy]-3-ethoxyphenyl]methylene]-5,6-dihydro-5-imino-2-
SpectraBase Compound ID 3bq1OJrCIXF
InChI InChI=1S/C29H34N4O5S/c1-6-36-25-17-21(16-23-26(30)33-29(31-27(23)34)39-28(32-33)18(2)3)8-10-24(25)38-14-12-35-11-13-37-22-9-7-19(4)20(5)15-22/h7-10,15-18,30H,6,11-14H2,1-5H3/b23-16-,30-26?
InChIKey FMDZHMQEWFXPEC-WNUQXASFSA-N
Mol Weight 550.7 g/mol
Molecular Formula C29H34N4O5S
Exact Mass 550.224991 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IiNNPIPRMDH
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[4-[2-[2-(3,4-dimethylphenoxy)ethoxy]ethoxy]-3-ethoxyphenyl]methylene]-5,6-dihydro-5-imino-2-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 550.224991380 u
Formula C29H34N4O5S
InChI InChI=1S/C29H34N4O5S/c1-6-36-25-17-21(16-23-26(30)33-29(31-27(23)34)39-28(32-33)18(2)3)8-10-24(25)38-14-12-35-11-13-37-22-9-7-19(4)20(5)15-22/h7-10,15-18,30H,6,11-14H2,1-5H3/b23-16-,30-26?
InChIKey FMDZHMQEWFXPEC-WNUQXASFSA-N
Molecular Weight 550.674 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15597
Solvent DMSO-d6
Source Vendor ID: ZI/10034396; Lab Info: CEP; Lab Number: CEP-6700941