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

SpectraBase Compound ID	9elEh9oNexf
InChI	InChI=1S/C20H21Cl2N3O4/c1-9-18(10(2)25(24-9)8-11-3-4-12(21)13(22)7-11)23-19(26)16-14-5-6-15(29-14)17(16)20(27)28/h3-4,7,14-17H,5-6,8H2,1-2H3,(H,23,26)(H,27,28)/t14-,15+,16+,17+/m0/s1
InChIKey	AERZNFQRFULWTE-YLFCFFPRSA-N Google Search
Mol Weight	438.31 g/mol
Molecular Formula	C20H21Cl2N3O4
Exact Mass	437.090912 g/mol

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SpectraBase Spectrum ID	AuRT0nggrHK
Name	3-({[1-(3,4-dichlorobenzyl)-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/C20H21Cl2N3O4/c1-9-18(10(2)25(24-9)8-11-3-4-12(21)13(22)7-11)23-19(26)16-14-5-6-15(29-14)17(16)20(27)28/h3-4,7,14-17H,5-6,8H2,1-2H3,(H,23,26)(H,27,28)/t14-,15+,16+,17+/m0/s1
InChIKey	AERZNFQRFULWTE-YLFCFFPRSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_4126
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/9132926; Labnumber: BAM_UACK/003346; UZI_ID: UZI-004128
Temperature	318 °C