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2-{[4-allyl-5-(anilinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(tert-butyl)acetamide
SpectraBase Compound ID 70jfh3hOayZ
InChI InChI=1S/C18H25N5OS/c1-5-11-23-15(12-19-14-9-7-6-8-10-14)21-22-17(23)25-13-16(24)20-18(2,3)4/h5-10,19H,1,11-13H2,2-4H3,(H,20,24)
InChIKey AOSWCCNNPXMZJJ-UHFFFAOYSA-N
Mol Weight 359.49 g/mol
Molecular Formula C18H25N5OS
Exact Mass 359.177982 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5ec5gM3vB2
Name 2-{[4-allyl-5-(anilinomethyl)-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/C18H25N5OS/c1-5-11-23-15(12-19-14-9-7-6-8-10-14)21-22-17(23)25-13-16(24)20-18(2,3)4/h5-10,19H,1,11-13H2,2-4H3,(H,20,24)
InChIKey AOSWCCNNPXMZJJ-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3704
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/8104158; UBI_ID: UBI-003705
Temperature 308 °C