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4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl 2-methylbenzyl sulfide

View entire compound with spectra: 1 NMR

4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl 2-methylbenzyl sulfide
SpectraBase Compound ID CAS7CEvdFOJ
InChI InChI=1S/C19H18ClN3S/c1-3-11-23-18(15-9-6-10-17(20)12-15)21-22-19(23)24-13-16-8-5-4-7-14(16)2/h3-10,12H,1,11,13H2,2H3
InChIKey OARANTKISUBFDM-UHFFFAOYSA-N
Mol Weight 355.89 g/mol
Molecular Formula C19H18ClN3S
Exact Mass 355.090996 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KZXBQdCOsvT
Name 4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl 2-methylbenzyl 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/C19H18ClN3S/c1-3-11-23-18(15-9-6-10-17(20)12-15)21-22-19(23)24-13-16-8-5-4-7-14(16)2/h3-10,12H,1,11,13H2,2H3
InChIKey OARANTKISUBFDM-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11216
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: E06295; Labnumber: GRES-19908; SBI_ID: SBI-011219
Synonyms 4-allyl-3-(3-chlorophenyl)-5-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazole
Temperature 318 °C