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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[3-chloro-4-[2-(3,4-dimethylphenoxy)ethoxy]-5-methoxyphenyl]methylene]-5,6-dihydro-5-imino-2-(2-methylpropyl)-, (6Z)-
SpectraBase Compound ID 9aQo3xqvwIo
InChI InChI=1S/C27H29ClN4O4S/c1-15(2)10-23-31-32-25(29)20(26(33)30-27(32)37-23)12-18-13-21(28)24(22(14-18)34-5)36-9-8-35-19-7-6-16(3)17(4)11-19/h6-7,11-15,29H,8-10H2,1-5H3/b20-12-,29-25?
InChIKey JUCAFBGGCVVHKQ-NQDAVXOOSA-N
Mol Weight 541.07 g/mol
Molecular Formula C27H29ClN4O4S
Exact Mass 540.159804 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 49a1dbDXaZh
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[3-chloro-4-[2-(3,4-dimethylphenoxy)ethoxy]-5-methoxyphenyl]methylene]-5,6-dihydro-5-imino-2-(2-methylpropyl)-, (6Z)-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C27H29ClN4O4S/c1-15(2)10-23-31-32-25(29)20(26(33)30-27(32)37-23)12-18-13-21(28)24(22(14-18)34-5)36-9-8-35-19-7-6-16(3)17(4)11-19/h6-7,11-15,29H,8-10H2,1-5H3/b20-12-,29-25?
InChIKey JUCAFBGGCVVHKQ-NQDAVXOOSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_2652
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/11269335