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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[3-bromo-5-methoxy-4-[2-[2-(2-propenyl)phenoxy]ethoxy]phenyl]methylene]-5,6-dihydro-5-imino-2-(1-methylethyl)-, (6Z)-
SpectraBase Compound ID CUMeOBreXo5
InChI InChI=1S/C27H27BrN4O4S/c1-5-8-18-9-6-7-10-21(18)35-11-12-36-23-20(28)14-17(15-22(23)34-4)13-19-24(29)32-27(30-25(19)33)37-26(31-32)16(2)3/h5-7,9-10,13-16,29H,1,8,11-12H2,2-4H3/b19-13-,29-24?
InChIKey DISMADHYWCSMRF-MGKZEPQOSA-N
Mol Weight 583.5 g/mol
Molecular Formula C27H27BrN4O4S
Exact Mass 582.09364 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FXjcVEevGBL
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[3-bromo-5-methoxy-4-[2-[2-(2-propenyl)phenoxy]ethoxy]phenyl]methylene]-5,6-dihydro-5-imino-2-(1-methylethyl)-, (6Z)-
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/C27H27BrN4O4S/c1-5-8-18-9-6-7-10-21(18)35-11-12-36-23-20(28)14-17(15-22(23)34-4)13-19-24(29)32-27(30-25(19)33)37-26(31-32)16(2)3/h5-7,9-10,13-16,29H,1,8,11-12H2,2-4H3/b19-13-,29-24?
InChIKey DISMADHYWCSMRF-MGKZEPQOSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_260
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/10318747