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3-(2,4-dichlorophenyl)-4-ethyl-5-{[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfanyl}-4H-1,2,4-triazole
SpectraBase Compound ID BGqVHUliBX9
InChI InChI=1S/C16H18Cl2N4OS/c1-2-22-15(12-6-5-11(17)9-13(12)18)19-20-16(22)24-10-14(23)21-7-3-4-8-21/h5-6,9H,2-4,7-8,10H2,1H3
InChIKey UQGPCBYUNZPGPI-UHFFFAOYSA-N
Mol Weight 385.31 g/mol
Molecular Formula C16H18Cl2N4OS
Exact Mass 384.057838 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J5yff5Dx6s3
Name 3-(2,4-dichlorophenyl)-4-ethyl-5-{[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfanyl}-4H-1,2,4-triazole
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/C16H18Cl2N4OS/c1-2-22-15(12-6-5-11(17)9-13(12)18)19-20-16(22)24-10-14(23)21-7-3-4-8-21/h5-6,9H,2-4,7-8,10H2,1H3
InChIKey UQGPCBYUNZPGPI-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7354
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: D29128; Labnumber: SPUL-1880; SBI_ID: SBI-007357
Synonyms 5-(2,4-dichlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl 2-oxo-2-(1-pyrrolidinyl)ethyl sulfide
Temperature 308 °C