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2-chloro-4-[(Z)-(5-imino-7-oxo-2-(3-pyridinyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]-6-methoxyphenyl methanesulfonate
SpectraBase Compound ID DtVDZQDqAk1
InChI InChI=1S/C19H14ClN5O5S2/c1-29-14-8-10(7-13(20)15(14)30-32(2,27)28)6-12-16(21)25-19(23-17(12)26)31-18(24-25)11-4-3-5-22-9-11/h3-9,21H,1-2H3/b12-6-,21-16?
InChIKey FGNXLWFUKXUSNQ-RHVZPXKPSA-N
Mol Weight 491.92 g/mol
Molecular Formula C19H14ClN5O5S2
Exact Mass 491.012489 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8JbsBu2jZhB
Name 2-chloro-4-[(Z)-(5-imino-7-oxo-2-(3-pyridinyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]-6-methoxyphenyl methanesulfonate
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/C19H14ClN5O5S2/c1-29-14-8-10(7-13(20)15(14)30-32(2,27)28)6-12-16(21)25-19(23-17(12)26)31-18(24-25)11-4-3-5-22-9-11/h3-9,21H,1-2H3/b12-6-,21-16?
InChIKey FGNXLWFUKXUSNQ-RHVZPXKPSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_21587
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: D55105; Labnumber: CEP5-0399; SBI_ID: SBI-021591
Synonyms 2-chloro-4-[(5-imino-7-oxo-2-(3-pyridinyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]-6-methoxyphenyl methanesulfonate
Temperature 315 °C