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4-({[4-allyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile

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4-({[4-allyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
SpectraBase Compound ID 2T1sOEqFBbf
InChI InChI=1S/C20H18N4S/c1-3-12-24-19(18-10-4-15(2)5-11-18)22-23-20(24)25-14-17-8-6-16(13-21)7-9-17/h3-11H,1,12,14H2,2H3
InChIKey AIBBGJJMTONBBB-UHFFFAOYSA-N
Mol Weight 346.45 g/mol
Molecular Formula C20H18N4S
Exact Mass 346.125218 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9ZdadT5ZBIY
Name 4-({[4-allyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
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/C20H18N4S/c1-3-12-24-19(18-10-4-15(2)5-11-18)22-23-20(24)25-14-17-8-6-16(13-21)7-9-17/h3-11H,1,12,14H2,2H3
InChIKey AIBBGJJMTONBBB-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4528
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: D99119; Labnumber: GRES-31814; SBI_ID: SBI-004530
Temperature 315 °C