3-({[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid

SpectraBase Compound ID	46Pc2keD3dc
InChI	InChI=1S/C20H22ClN3O4/c1-10-18(11(2)24(23-10)9-12-5-3-4-6-13(12)21)22-19(25)16-14-7-8-15(28-14)17(16)20(26)27/h3-6,14-17H,7-9H2,1-2H3,(H,22,25)(H,26,27)/t14-,15+,16+,17+/m0/s1
InChIKey	ZGVJDVGMFDKWHA-YLFCFFPRSA-N Google Search
Mol Weight	403.87 g/mol
Molecular Formula	C20H22ClN3O4
Exact Mass	403.129884 g/mol

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SpectraBase Spectrum ID	FkEijtSMQ6R
Name	3-({[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
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/C20H22ClN3O4/c1-10-18(11(2)24(23-10)9-12-5-3-4-6-13(12)21)22-19(25)16-14-7-8-15(28-14)17(16)20(26)27/h3-6,14-17H,7-9H2,1-2H3,(H,22,25)(H,26,27)/t14-,15+,16+,17+/m0/s1
InChIKey	ZGVJDVGMFDKWHA-YLFCFFPRSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_4136
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/9165270; Labnumber: BAM_UACK/003500; UZI_ID: UZI-004138
Temperature	318 °C