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(8R,9S,10S)-10-Bromo-10,11-dihydro-6'-methoxycinchonan-9-ol
SpectraBase Compound ID FizqpmOXJFW
InChI InChI=1S/C20H25BrN2O2/c1-12(21)17-11-23-8-6-13(17)9-19(23)20(24)15-5-7-22-18-4-3-14(25-2)10-16(15)18/h3-5,7,10,12-13,17,19-20,24H,6,8-9,11H2,1-2H3/t12?,13-,17+,19+,20-/m0/s1
InChIKey AMNCJJOQDFYMLB-WGTMBPBOSA-N
Mol Weight 405.34 g/mol
Molecular Formula C20H25BrN2O2
Exact Mass 404.109941 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HeWWyqNM3se
Name (8R,9S,10S)-10-Bromo-10,11-dihydro-6'-methoxycinchonan-9-ol
Alternate Name(s) (9S,10R)-10-bromo-6'-methoxy-10,11-dihydrocinchonan-9-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H25BrN2O2
InChI InChI=1S/C20H25BrN2O2/c1-12(21)17-11-23-8-6-13(17)9-19(23)20(24)15-5-7-22-18-4-3-14(25-2)10-16(15)18/h3-5,7,10,12-13,17,19-20,24H,6,8-9,11H2,1-2H3/t12?,13-,17+,19+,20-/m0/s1
InChIKey AMNCJJOQDFYMLB-WGTMBPBOSA-N
Molecular Weight 405.336 g/mol
SMILES O[C@@](c1c2c(ccc(c2)OC)ncc1)([C@@]1(N2C[C@](C(Br)C)([C@@](CC2)(C1)[H])[H])[H])[H]
SPLASH splash10-000i-1901000000-9c1ae6c319356d469e65
Source of Spectrum F-54-3504-2
Wiley ID 806447