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4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-diethyl-1H-pyrazole methanesulfonate
SpectraBase Compound ID CdOu6pKGj82
InChI InChI=1S/C20H29ClN2O2.CH4O3S/c1-4-18-16(19(5-2)23-22-18)10-8-6-7-9-13-25-20-12-11-15(24-3)14-17(20)21;1-5(2,3)4/h11-12,14H,4-10,13H2,1-3H3,(H,22,23);1H3,(H,2,3,4)
InChIKey XLPNGUGQMKKKDG-UHFFFAOYSA-N
Mol Weight 461.02 g/mol
Molecular Formula C21H33ClN2O5S
Exact Mass 460.179871 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8v6H8kzH5IL
Name 4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-diethyl-1H-pyrazole methanesulfonate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C20H29ClN2O2.CH4O3S/c1-4-18-16(19(5-2)23-22-18)10-8-6-7-9-13-25-20-12-11-15(24-3)14-17(20)21;1-5(2,3)4/h11-12,14H,4-10,13H2,1-3H3,(H,22,23);1H3,(H,2,3,4)
InChIKey XLPNGUGQMKKKDG-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_17067
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: 987/00004882; Labnumber: 987/00004882218859; VK_ID: VK-017072
Temperature 318 °C