3-[4-(2,4-difluorophenyl)butyl]-2-methyl-1H-indene; butane-2,3-dione

SpectraBase Compound ID	Al6Xmvhf5nk
InChI	InChI=1S/C18H18F2N2.C2H2O4/c1-12-15(16-4-2-3-5-18(16)22-12)8-9-21-11-13-6-7-14(19)10-17(13)20;3-1(4)2(5)6/h2-7,10,21-22H,8-9,11H2,1H3;(H,3,4)(H,5,6)
InChIKey	IZRZKXPAWDTVHO-UHFFFAOYSA-N Google Search
Mol Weight	390.39 g/mol
Molecular Formula	C20H20F2N2O4
Exact Mass	390.139113 g/mol

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SpectraBase Spectrum ID	ExFEr4gyBJ8
Name	3-[4-(2,4-difluorophenyl)butyl]-2-methyl-1H-indene; butane-2,3-dione
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	390.139113454 u
Formula	C20H20F2N2O4
InChI	InChI=1S/C18H18F2N2.C2H2O4/c1-12-15(16-4-2-3-5-18(16)22-12)8-9-21-11-13-6-7-14(19)10-17(13)20;3-1(4)2(5)6/h2-7,10,21-22H,8-9,11H2,1H3;(H,3,4)(H,5,6)
InChIKey	IZRZKXPAWDTVHO-UHFFFAOYSA-N
Molecular Weight	390.387 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_17201
Solvent	DMSO-d6
Source	Vendor ID: NMR/11270454; Lab Info: GRI; Lab Number: GRI-0000004