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N-{[4-allyl-5-(benzylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}aniline
SpectraBase Compound ID H1hB9bEoU2z
InChI InChI=1S/C19H20N4S/c1-2-13-23-18(14-20-17-11-7-4-8-12-17)21-22-19(23)24-15-16-9-5-3-6-10-16/h2-12,20H,1,13-15H2
InChIKey GEZIFXFDBCQYPN-UHFFFAOYSA-N
Mol Weight 336.46 g/mol
Molecular Formula C19H20N4S
Exact Mass 336.140868 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7OmLxzfhCj6
Name N-{[4-allyl-5-(benzylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}aniline
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/C19H20N4S/c1-2-13-23-18(14-20-17-11-7-4-8-12-17)21-22-19(23)24-15-16-9-5-3-6-10-16/h2-12,20H,1,13-15H2
InChIKey GEZIFXFDBCQYPN-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_5411
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/8157284; UBI_ID: UBI-005413
Synonyms N-{[4-allyl-5-(benzylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-N-phenylamine
Temperature 308 °C