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1-(4-bromophenyl)-2-((2Z)-5-(tert-butoxymethyl)-2-[(Z)-2-propenylimino]-1,3,4-thiadiazol-3(2H)-yl)ethanone

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1-(4-bromophenyl)-2-((2Z)-5-(tert-butoxymethyl)-2-[(Z)-2-propenylimino]-1,3,4-thiadiazol-3(2H)-yl)ethanone
SpectraBase Compound ID JqzmCXZlCgr
InChI InChI=1S/C18H22BrN3O2S/c1-5-10-20-17-22(21-16(25-17)12-24-18(2,3)4)11-15(23)13-6-8-14(19)9-7-13/h5-9H,1,10-12H2,2-4H3/b20-17-
InChIKey ILLVVLWSNLHMTH-JZJYNLBNSA-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

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SpectraBase Spectrum ID KKeWCTF7Sk9
Name 1-(4-bromophenyl)-2-((2Z)-5-(tert-butoxymethyl)-2-[(Z)-2-propenylimino]-1,3,4-thiadiazol-3(2H)-yl)ethanone
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(21-16(25-17)12-24-18(2,3)4)11-15(23)13-6-8-14(19)9-7-13/h5-9H,1,10-12H2,2-4H3/b20-17-
InChIKey ILLVVLWSNLHMTH-JZJYNLBNSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_16629
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: 987/00004154; Labnumber: 987/00004154218850; VK_ID: VK-016634
Synonyms 1-(4-bromophenyl)-2-(5-(tert-butoxymethyl)-2-[2-propenylimino]-1,3,4-thiadiazol-3(2H)-yl)ethanone
Temperature 318 °C