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4-[(Z)-(2-(1-ethylpropyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]phenyl 2-furoate
SpectraBase Compound ID 5NL1o6ldfHo
InChI InChI=1S/C22H20N4O4S/c1-3-14(4-2)20-25-26-18(23)16(19(27)24-22(26)31-20)12-13-7-9-15(10-8-13)30-21(28)17-6-5-11-29-17/h5-12,14,23H,3-4H2,1-2H3/b16-12-,23-18?
InChIKey PROBVOLUNICVRW-WAKLOXMOSA-N
Mol Weight 436.49 g/mol
Molecular Formula C22H20N4O4S
Exact Mass 436.120526 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 74XFkJUGOXB
Name 4-[(Z)-(2-(1-ethylpropyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]phenyl 2-furoate
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/C22H20N4O4S/c1-3-14(4-2)20-25-26-18(23)16(19(27)24-22(26)31-20)12-13-7-9-15(10-8-13)30-21(28)17-6-5-11-29-17/h5-12,14,23H,3-4H2,1-2H3/b16-12-,23-18?
InChIKey PROBVOLUNICVRW-WAKLOXMOSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25873
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: D61696; Labnumber: CEP4-3825; SBI_ID: SBI-025877
Synonyms 4-[(2-(1-ethylpropyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]phenyl 2-furoate
Temperature 318 °C