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4-[(E)-(5-imino-7-oxo-2-(3-pyridinyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]phenyl methanesulfonate
SpectraBase Compound ID Lf6NBrEFZSE
InChI InChI=1S/C18H13N5O4S2/c1-29(25,26)27-13-6-4-11(5-7-13)9-14-15(19)23-18(21-16(14)24)28-17(22-23)12-3-2-8-20-10-12/h2-10,19H,1H3/b14-9+,19-15?
InChIKey SEKHTFNFTZJYEN-DIQJHTJGSA-N
Mol Weight 427.45 g/mol
Molecular Formula C18H13N5O4S2
Exact Mass 427.040896 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DjyUDYHV0bP
Name 4-[(E)-(5-imino-7-oxo-2-(3-pyridinyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]phenyl 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/C18H13N5O4S2/c1-29(25,26)27-13-6-4-11(5-7-13)9-14-15(19)23-18(21-16(14)24)28-17(22-23)12-3-2-8-20-10-12/h2-10,19H,1H3/b14-9+,19-15?
InChIKey SEKHTFNFTZJYEN-DIQJHTJGSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_21579
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: D55095; Labnumber: CEP5-0127; SBI_ID: SBI-021583
Synonyms 4-[(5-imino-7-oxo-2-(3-pyridinyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]phenyl methanesulfonate
Temperature 315 °C