N-[1-(2,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl]-5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]-3-isoxazolecarboxamide

SpectraBase Compound ID	6ZBpLZsvQjJ
InChI	InChI=1S/C18H14Cl2N8O4/c1-10-14(8-26-7-13(5-22-26)28(30)31)16(25-32-10)17(29)23-18-21-9-27(24-18)6-11-2-3-12(19)4-15(11)20/h2-5,7,9H,6,8H2,1H3,(H,23,24,29)
InChIKey	SMUFZAIUTJIFGQ-UHFFFAOYSA-N Google Search
Mol Weight	477.27 g/mol
Molecular Formula	C18H14Cl2N8O4
Exact Mass	476.051506 g/mol

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SpectraBase Spectrum ID	KYCV7adzmdZ
Name	N-[1-(2,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl]-5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]-3-isoxazolecarboxamide
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/C18H14Cl2N8O4/c1-10-14(8-26-7-13(5-22-26)28(30)31)16(25-32-10)17(29)23-18-21-9-27(24-18)6-11-2-3-12(19)4-15(11)20/h2-5,7,9H,6,8H2,1H3,(H,23,24,29)
InChIKey	SMUFZAIUTJIFGQ-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_32899
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: 1911723; SBI_ID: SBI-032903
Temperature	318 °C