propyl 4-({3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]benzoyl}amino)benzoate

SpectraBase Compound ID	4POxOesBihN
InChI	InChI=1S/C21H19BrN4O5/c1-2-10-31-21(28)15-6-8-17(9-7-15)23-20(27)16-5-3-4-14(11-16)12-25-13-18(22)19(24-25)26(29)30/h3-9,11,13H,2,10,12H2,1H3,(H,23,27)
InChIKey	UAFYWWLSSPCDQQ-UHFFFAOYSA-N Google Search
Mol Weight	487.31 g/mol
Molecular Formula	C21H19BrN4O5
Exact Mass	486.053883 g/mol

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SpectraBase Spectrum ID	8dBZHSKYnpS
Name	propyl 4-({3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]benzoyl}amino)benzoate
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/C21H19BrN4O5/c1-2-10-31-21(28)15-6-8-17(9-7-15)23-20(27)16-5-3-4-14(11-16)12-25-13-18(22)19(24-25)26(29)30/h3-9,11,13H,2,10,12H2,1H3,(H,23,27)
InChIKey	UAFYWWLSSPCDQQ-UHFFFAOYSA-N
NMR Offset	16.0772
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_3391
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: UZI/9134962; Labnumber: BAC_UAMK/009508; UZI_ID: UZI-003393
Temperature	308 °C