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4-{4'H-spiro[cyclohexane-1,3'-isoquinolin]-1'-yl}butan-2-one
SpectraBase Compound ID 5pjB48qzABg
InChI InChI=1S/C16H20N2O2/c19-14(20)11-17-15-13-7-3-2-6-12(13)10-16(18-15)8-4-1-5-9-16/h2-3,6-7H,1,4-5,8-11H2,(H,17,18)(H,19,20)
InChIKey LFBZPGUVVGETIE-UHFFFAOYSA-N
Mol Weight 272.35 g/mol
Molecular Formula C16H20N2O2
Exact Mass 272.152478 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HMuY13BCKHN
Name 4-{4'H-spiro[cyclohexane-1,3'-isoquinolin]-1'-yl}butan-2-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 272.152477890 u
Formula C16H20N2O2
InChI InChI=1S/C16H20N2O2/c19-14(20)11-17-15-13-7-3-2-6-12(13)10-16(18-15)8-4-1-5-9-16/h2-3,6-7H,1,4-5,8-11H2,(H,17,18)(H,19,20)
InChIKey LFBZPGUVVGETIE-UHFFFAOYSA-N
Molecular Weight 272.348 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16355
Solvent DMSO-d6
Source Vendor ID: NMR/10301666; Lab Info: GRB; Lab Number: GRB-0000004