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(6E)-6-[4-(diethylamino)benzylidene]-2-(1-ethylpropyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID L9PIB3JXxR7
InChI InChI=1S/C21H27N5OS/c1-5-15(6-2)20-24-26-18(22)17(19(27)23-21(26)28-20)13-14-9-11-16(12-10-14)25(7-3)8-4/h9-13,15,22H,5-8H2,1-4H3/b17-13+,22-18?
InChIKey IOVWNNSBRUGNPV-GQCVOSMTSA-N
Mol Weight 397.54 g/mol
Molecular Formula C21H27N5OS
Exact Mass 397.193632 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID F5HPzDHQCzZ
Name (6E)-6-[4-(diethylamino)benzylidene]-2-(1-ethylpropyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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/C21H27N5OS/c1-5-15(6-2)20-24-26-18(22)17(19(27)23-21(26)28-20)13-14-9-11-16(12-10-14)25(7-3)8-4/h9-13,15,22H,5-8H2,1-4H3/b17-13+,22-18?
InChIKey IOVWNNSBRUGNPV-GQCVOSMTSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25853
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: D61673; Labnumber: CEP4-3676; SBI_ID: SBI-025857
Synonyms 6-[4-(diethylamino)benzylidene]-2-(1-ethylpropyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 318 °C