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3-(5,5-dimethylhexyl)-2-methyl-1H-indene; butane-2,3-dione
SpectraBase Compound ID 3olZBgqJhT0
InChI InChI=1S/C16H24N2.C2H2O4/c1-12-13(9-10-17-11-16(2,3)4)14-7-5-6-8-15(14)18-12;3-1(4)2(5)6/h5-8,17-18H,9-11H2,1-4H3;(H,3,4)(H,5,6)
InChIKey MARCLXRFDSKYPQ-UHFFFAOYSA-N
Mol Weight 334.42 g/mol
Molecular Formula C18H26N2O4
Exact Mass 334.189257 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GiDDvvFNwRy
Name 3-(5,5-dimethylhexyl)-2-methyl-1H-indene; butane-2,3-dione
Copyright Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 334.189257321 u
Formula C18H26N2O4
InChI InChI=1S/C16H24N2.C2H2O4/c1-12-13(9-10-17-11-16(2,3)4)14-7-5-6-8-15(14)18-12;3-1(4)2(5)6/h5-8,17-18H,9-11H2,1-4H3;(H,3,4)(H,5,6)
InChIKey MARCLXRFDSKYPQ-UHFFFAOYSA-N
Molecular Weight 334.416 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17932
Solvent DMSO-d6
Source Vendor ID: NMR/11270458; Lab Info: GRI; Lab Number: GRI-0000008