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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[3-chloro-5-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methylene]-5,6-dihydro-5-imino-2-(1-
SpectraBase Compound ID 9TWcCmWbPny
InChI InChI=1S/C25H25ClN4O4S/c1-14(2)24-29-30-22(27)17(23(31)28-25(30)35-24)11-16-12-18(26)21(20(13-16)32-4)34-10-9-33-19-8-6-5-7-15(19)3/h5-8,11-14,27H,9-10H2,1-4H3/b17-11-,27-22?
InChIKey COQZYRBNURVYPY-URDSPAQOSA-N
Mol Weight 513.01 g/mol
Molecular Formula C25H25ClN4O4S
Exact Mass 512.128504 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5vCcaRMWvgE
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[3-chloro-5-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methylene]-5,6-dihydro-5-imino-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 512.128504171 u
Formula C25H25ClN4O4S
InChI InChI=1S/C25H25ClN4O4S/c1-14(2)24-29-30-22(27)17(23(31)28-25(30)35-24)11-16-12-18(26)21(20(13-16)32-4)34-10-9-33-19-8-6-5-7-15(19)3/h5-8,11-14,27H,9-10H2,1-4H3/b17-11-,27-22?
InChIKey COQZYRBNURVYPY-URDSPAQOSA-N
Molecular Weight 513.012 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17041
Solvent DMSO-d6
Source Vendor ID: ZI/10034068; Lab Info: CEP; Lab Number: CEP-6700628