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1H-5,8a-Propanoquinolin-7(8H)-one, hexahydro-10-methyl-1-[3-(phenylmethoxy)propyl]-, (4a.alpha.,5.alpha.,8a.alpha.,10R*)-(.+-.)-

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1H-5,8a-Propanoquinolin-7(8H)-one, hexahydro-10-methyl-1-[3-(phenylmethoxy)propyl]-, (4a.alpha.,5.alpha.,8a.alpha.,10R*)-(.+-.)-
SpectraBase Compound ID 94sHEL00qCp
InChI InChI=1S/C23H33NO2/c1-18-13-20-14-21(25)16-23(15-18)22(20)9-5-10-24(23)11-6-12-26-17-19-7-3-2-4-8-19/h2-4,7-8,18,20,22H,5-6,9-17H2,1H3/t18-,20+,22+,23-/m1/s1
InChIKey YKIGBWYIWAVNEA-WENLIBGGSA-N
Mol Weight 355.5 g/mol
Molecular Formula C23H33NO2
Exact Mass 355.251129 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H50MJ4O6duz
Name 1H-5,8A-Propanoquinolin-7(8H)-one, hexahydro-10-methyl-1-[3-(phenylmethoxy)propyl]-, (4A.alpha.,5.alpha.,8A.alpha.,10R*)-(.+-.)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 355.251129305 u
Formula C23H33NO2
InChI InChI=1S/C23H33NO2/c1-18-13-20-14-21(25)16-23(15-18)22(20)9-5-10-24(23)11-6-12-26-17-19-7-3-2-4-8-19/h2-4,7-8,18,20,22H,5-6,9-17H2,1H3/t18-,20-,22+,23-/m1/s1
InChIKey YKIGBWYIWAVNEA-WENLIBGGSA-N
Molecular Weight 355.522 g/mol
SMILES [C@]123[C@]([C@@]([H])(C[C@](C3)(C)[H])CC(C1)=O)(CCCN2CCCOCC1=CC=CC=C1)[H]