For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylene]-5,6-dihydro-5-imino-2-(1-methylethyl)-, (6E)-
SpectraBase Compound ID GA2dfCJ76Tk
InChI InChI=1S/C21H21N5OS/c1-12(2)20-24-26-18(22)17(19(27)23-21(26)28-20)11-15-10-13(3)25(14(15)4)16-8-6-5-7-9-16/h5-12,22H,1-4H3/b17-11+,22-18?
InChIKey KPVBFKMOHYGSGJ-WBIXSPHCSA-N
Mol Weight 391.49 g/mol
Molecular Formula C21H21N5OS
Exact Mass 391.146681 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4bPJ8yJyFaA
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylene]-5,6-dihydro-5-imino-2-(1-methylethyl)-, (6E)-
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/C21H21N5OS/c1-12(2)20-24-26-18(22)17(19(27)23-21(26)28-20)11-15-10-13(3)25(14(15)4)16-8-6-5-7-9-16/h5-12,22H,1-4H3/b17-11+,22-18?
InChIKey KPVBFKMOHYGSGJ-WBIXSPHCSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_2552
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: NMR/11269223