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1'-((4-methoxyphenyl)sulfonyl)-1,1''-dimethyl-1H,1'H,1''H-4,3':5',4''-terpyrazole

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1'-((4-methoxyphenyl)sulfonyl)-1,1''-dimethyl-1H,1'H,1''H-4,3':5',4''-terpyrazole
SpectraBase Compound ID Ea8CVOJor5L
InChI InChI=1S/C18H18N6O3S/c1-22-11-13(9-19-22)17-8-18(14-10-20-23(2)12-14)24(21-17)28(25,26)16-6-4-15(27-3)5-7-16/h4-12H,1-3H3
InChIKey CFLMPUAIBLCYMZ-UHFFFAOYSA-N
Mol Weight 398.44 g/mol
Molecular Formula C18H18N6O3S
Exact Mass 398.11611 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9sFzjP5od3X
Name 1'-((4-methoxyphenyl)sulfonyl)-1,1''-dimethyl-1H,1'H,1''H-4,3':5',4''-terpyrazole
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/C18H18N6O3S/c1-22-11-13(9-19-22)17-8-18(14-10-20-23(2)12-14)24(21-17)28(25,26)16-6-4-15(27-3)5-7-16/h4-12H,1-3H3
InChIKey CFLMPUAIBLCYMZ-UHFFFAOYSA-N
NMR Offset 17.91
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_31331
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: 1767696; SBI_ID: SBI-031335
Temperature 303 °C