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2-Cyclohexen-1-one, 4-[2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-, (R)-
SpectraBase Compound ID 5NzELtArYJ9
InChI InChI=1S/C17H23NO2/c1-18(2)13-12-17(10-8-15(19)9-11-17)14-4-6-16(20-3)7-5-14/h4-8,10H,9,11-13H2,1-3H3/t17-/m1/s1
InChIKey OSVHQDWAYRACIL-QGZVFWFLSA-N
Mol Weight 273.38 g/mol
Molecular Formula C17H23NO2
Exact Mass 273.172879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CL3g5aT7JGL
Name 2-Cyclohexen-1-one, 4-[2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-, (R)-
CAS Registry Number 77844-21-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H23NO2
InChI InChI=1S/C17H23NO2/c1-18(2)13-12-17(10-8-15(19)9-11-17)14-4-6-16(20-3)7-5-14/h4-8,10H,9,11-13H2,1-3H3/t17-/m1/s1
InChIKey OSVHQDWAYRACIL-QGZVFWFLSA-N
Molecular Weight 273.376 g/mol
SMILES [C@@]1(C=CC(CC1)=O)(c1ccc(cc1)OC)CCN(C)C
SPLASH splash10-00di-2090000000-eae59951302b20e5eac2
Source of Spectrum KC-1981-285-0
Synonyms (4R)-(-)-O-methyljoubertiamine (4R)-4-[2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-2-cyclohexen-1-one O-methyljoubertiamine
Wiley ID 1277387