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(6Z)-6-[4-(dimethylamino)benzylidene]-2-heptyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID B78Bw6KFoS3
InChI InChI=1S/C21H27N5OS/c1-4-5-6-7-8-9-18-24-26-19(22)17(20(27)23-21(26)28-18)14-15-10-12-16(13-11-15)25(2)3/h10-14,22H,4-9H2,1-3H3/b17-14-,22-19?
InChIKey CYUVFNGXRPTMLI-JWGSSVRRSA-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 2wvWmvdmfPI
Name (6Z)-6-[4-(dimethylamino)benzylidene]-2-heptyl-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/c1-4-5-6-7-8-9-18-24-26-19(22)17(20(27)23-21(26)28-18)14-15-10-12-16(13-11-15)25(2)3/h10-14,22H,4-9H2,1-3H3/b17-14-,22-19?
InChIKey CYUVFNGXRPTMLI-JWGSSVRRSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_7441
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: 127231; Labnumber: CEP2K-01138; VK_ID: VK-007445
Synonyms 6-[4-(dimethylamino)benzylidene]-2-heptyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 315 °C