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3-[4-(2,4-dimethoxy-3-methylphenyl)butyl]-2-methyl-1H-indene; butane-2,3-dione
SpectraBase Compound ID FAGUaYFPwD0
InChI InChI=1S/C21H26N2O2.C2H2O4/c1-14-20(24-3)10-9-16(21(14)25-4)13-22-12-11-17-15(2)23-19-8-6-5-7-18(17)19;3-1(4)2(5)6/h5-10,22-23H,11-13H2,1-4H3;(H,3,4)(H,5,6)
InChIKey JTEFXEJRDNPPPJ-UHFFFAOYSA-N
Mol Weight 428.49 g/mol
Molecular Formula C23H28N2O6
Exact Mass 428.194737 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Gq0dDmIDS6D
Name 3-[4-(2,4-dimethoxy-3-methylphenyl)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 428.194736624 u
Formula C23H28N2O6
InChI InChI=1S/C21H26N2O2.C2H2O4/c1-14-20(24-3)10-9-16(21(14)25-4)13-22-12-11-17-15(2)23-19-8-6-5-7-18(17)19;3-1(4)2(5)6/h5-10,22-23H,11-13H2,1-4H3;(H,3,4)(H,5,6)
InChIKey JTEFXEJRDNPPPJ-UHFFFAOYSA-N
Molecular Weight 428.485 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17203
Solvent DMSO-d6
Source Vendor ID: NMR/11270456; Lab Info: GRI; Lab Number: GRI-0000006