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4-allyl-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl (2E)-3-phenyl-2-propenyl sulfide

View entire compound with spectra: 1 NMR

4-allyl-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl (2E)-3-phenyl-2-propenyl sulfide
SpectraBase Compound ID BPb32RWK2aP
InChI InChI=1S/C20H18ClN3S/c1-2-14-24-19(17-10-12-18(21)13-11-17)22-23-20(24)25-15-6-9-16-7-4-3-5-8-16/h2-13H,1,14-15H2/b9-6+
InChIKey GGIHABHVWOHLRK-RMKNXTFCSA-N
Mol Weight 367.9 g/mol
Molecular Formula C20H18ClN3S
Exact Mass 367.090996 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5aZ81JxqJWr
Name 4-allyl-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl (2E)-3-phenyl-2-propenyl sulfide
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/C20H18ClN3S/c1-2-14-24-19(17-10-12-18(21)13-11-17)22-23-20(24)25-15-6-9-16-7-4-3-5-8-16/h2-13H,1,14-15H2/b9-6+
InChIKey GGIHABHVWOHLRK-RMKNXTFCSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4088
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: D98540; Labnumber: GRES-22503; SBI_ID: SBI-004090
Synonyms 4-allyl-3-(4-chlorophenyl)-5-{[(2E)-3-phenyl-2-propenyl]sulfanyl}-4H-1,2,4-triazole4-allyl-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl 3-phenyl-2-propenyl sulfide
Temperature 318 °C