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3-[4-(2,4-difluorophenyl)butyl]-5-methoxy-2-methyl-1H-indene; butane-2,3-dione
SpectraBase Compound ID iAnUEViHlV
InChI InChI=1S/C19H20F2N2O.C2H2O4/c1-12-16(17-10-15(24-2)5-6-19(17)23-12)7-8-22-11-13-3-4-14(20)9-18(13)21;3-1(4)2(5)6/h3-6,9-10,22-23H,7-8,11H2,1-2H3;(H,3,4)(H,5,6)
InChIKey VEGHXTYLHNJNDX-UHFFFAOYSA-N
Mol Weight 420.41 g/mol
Molecular Formula C21H22F2N2O5
Exact Mass 420.149678 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID nlyeCXodJC
Name 3-[4-(2,4-difluorophenyl)butyl]-5-methoxy-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 420.149678137 u
Formula C21H22F2N2O5
InChI InChI=1S/C19H20F2N2O.C2H2O4/c1-12-16(17-10-15(24-2)5-6-19(17)23-12)7-8-22-11-13-3-4-14(20)9-18(13)21;3-1(4)2(5)6/h3-6,9-10,22-23H,7-8,11H2,1-2H3;(H,3,4)(H,5,6)
InChIKey VEGHXTYLHNJNDX-UHFFFAOYSA-N
Molecular Weight 420.413 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17199
Solvent DMSO-d6
Source Vendor ID: NMR/11270452; Lab Info: GRI; Lab Number: GRI-0000002