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

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4'-chloro-1,1''-dimethyl-1'-((3-nitrophenyl)sulfonyl)-1H,1'H,1''H-4,3':5',4''-terpyrazole
SpectraBase Compound ID 8PrB1jK9WaJ
InChI InChI=1S/C17H14ClN7O4S/c1-22-9-11(7-19-22)16-15(18)17(12-8-20-23(2)10-12)24(21-16)30(28,29)14-5-3-4-13(6-14)25(26)27/h3-10H,1-2H3
InChIKey ILOUMBJRLUUFIZ-UHFFFAOYSA-N
Mol Weight 447.86 g/mol
Molecular Formula C17H14ClN7O4S
Exact Mass 447.051651 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IwPDA8WqRQI
Name 4'-chloro-1,1''-dimethyl-1'-((3-nitrophenyl)sulfonyl)-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/C17H14ClN7O4S/c1-22-9-11(7-19-22)16-15(18)17(12-8-20-23(2)10-12)24(21-16)30(28,29)14-5-3-4-13(6-14)25(26)27/h3-10H,1-2H3
InChIKey ILOUMBJRLUUFIZ-UHFFFAOYSA-N
NMR Offset 17.9101
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_31306
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: 1763234; SBI_ID: SBI-031310
Temperature 303 °C