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2-{[4-allyl-5-(4-toluidinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
SpectraBase Compound ID JqNX4qA1KHs
InChI InChI=1S/C21H23N5OS/c1-3-13-26-19(14-22-17-11-9-16(2)10-12-17)24-25-21(26)28-15-20(27)23-18-7-5-4-6-8-18/h3-12,22H,1,13-15H2,2H3,(H,23,27)
InChIKey CRUUCTJMYNEUEF-UHFFFAOYSA-N
Mol Weight 393.51 g/mol
Molecular Formula C21H23N5OS
Exact Mass 393.162332 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2MshUu1kIm1
Name 2-{[4-allyl-5-(4-toluidinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
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/C21H23N5OS/c1-3-13-26-19(14-22-17-11-9-16(2)10-12-17)24-25-21(26)28-15-20(27)23-18-7-5-4-6-8-18/h3-12,22H,1,13-15H2,2H3,(H,23,27)
InChIKey CRUUCTJMYNEUEF-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_18122
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/9056792; Labnumber: STA-0011775; UZI_ID: UZI-018129
Temperature 318 °C