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1-{1'-[4-(3,3-dimethylbut-1-yn-1-yl)benzoyl]-[1,4'-bipiperidin]-4'-yl}ethan-1-one
SpectraBase Compound ID 652Z7ds22s3
InChI InChI=1S/C23H31N3O3/c1-22(2,29)11-10-18-6-8-19(9-7-18)20(27)25-16-12-23(13-17-25,21(24)28)26-14-4-3-5-15-26/h6-9,29H,3-5,12-17H2,1-2H3,(H2,24,28)
InChIKey BHTLMZMEQFNADC-UHFFFAOYSA-N
Mol Weight 397.52 g/mol
Molecular Formula C23H31N3O3
Exact Mass 397.236542 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Indon2Gkc1W
Name 1-{1'-[4-(3,3-dimethylbut-1-yn-1-yl)benzoyl]-[1,4'-bipiperidin]-4'-yl}ethan-1-one
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 397.236541867 u
Formula C23H31N3O3
InChI InChI=1S/C23H31N3O3/c1-22(2,29)11-10-18-6-8-19(9-7-18)20(27)25-16-12-23(13-17-25,21(24)28)26-14-4-3-5-15-26/h6-9,29H,3-5,12-17H2,1-2H3,(H2,24,28)
InChIKey BHTLMZMEQFNADC-UHFFFAOYSA-N
Molecular Weight 397.519 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6595
Solvent DMSO-d6
Source Vendor ID: NMR/9321486; Lab Info: RAI; Lab Number: RAI-CPL0004