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

*Links on SpectraBase are not permalinks.

1-((2E)-5-[(4-bromophenoxy)methyl]-2-[(E)-2-propenylimino]-1,3,4-thiadiazol-3(2H)-yl)-3,3-dimethyl-2-butanone

View entire compound with spectra: 1 NMR

1-((2E)-5-[(4-bromophenoxy)methyl]-2-[(E)-2-propenylimino]-1,3,4-thiadiazol-3(2H)-yl)-3,3-dimethyl-2-butanone
SpectraBase Compound ID FTyzidemWpF
InChI InChI=1S/C18H22BrN3O2S/c1-5-10-20-17-22(11-15(23)18(2,3)4)21-16(25-17)12-24-14-8-6-13(19)7-9-14/h5-9H,1,10-12H2,2-4H3/b20-17+
InChIKey NQEPTYMXRJCMPZ-LVZFUZTISA-N
Mol Weight 424.36 g/mol
Molecular Formula C18H22BrN3O2S
Exact Mass 423.061611 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 K3PSxx1qZM1
Name 1-((2E)-5-[(4-bromophenoxy)methyl]-2-[(E)-2-propenylimino]-1,3,4-thiadiazol-3(2H)-yl)-3,3-dimethyl-2-butanone
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/C18H22BrN3O2S/c1-5-10-20-17-22(11-15(23)18(2,3)4)21-16(25-17)12-24-14-8-6-13(19)7-9-14/h5-9H,1,10-12H2,2-4H3/b20-17+
InChIKey NQEPTYMXRJCMPZ-LVZFUZTISA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_17661
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: 987/00005916; Labnumber: 987/00005916218872; VK_ID: VK-017666
Synonyms 1-(5-[(4-bromophenoxy)methyl]-2-[2-propenylimino]-1,3,4-thiadiazol-3(2H)-yl)-3,3-dimethyl-2-butanone
Temperature 318 °C