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2-{[4-allyl-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(tert-butyl)acetamide
SpectraBase Compound ID CdQrdBub1fP
InChI InChI=1S/C17H21BrN4OS/c1-5-10-22-15(12-6-8-13(18)9-7-12)20-21-16(22)24-11-14(23)19-17(2,3)4/h5-9H,1,10-11H2,2-4H3,(H,19,23)
InChIKey OLCRYJZSBTZZAG-UHFFFAOYSA-N
Mol Weight 409.35 g/mol
Molecular Formula C17H21BrN4OS
Exact Mass 408.061945 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JpYQfyMElJe
Name 2-{[4-allyl-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(tert-butyl)acetamide
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/C17H21BrN4OS/c1-5-10-22-15(12-6-8-13(18)9-7-12)20-21-16(22)24-11-14(23)19-17(2,3)4/h5-9H,1,10-11H2,2-4H3,(H,19,23)
InChIKey OLCRYJZSBTZZAG-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_5753
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: UZI/8171471; UBI_ID: UBI-005755
Temperature 313 °C