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(R)-Azabicyclo[2.2.2]oct-3-yl (S)-.alpha.-Hydroxy-.alpha.-[4-(3-fluoropropyl)phenyl]benzeneacetate ((R,S)-FPrQNB
SpectraBase Compound ID 9gybbAwbDwU
InChI InChI=1S/C24H28FNO3/c25-14-4-5-18-8-10-21(11-9-18)24(28,20-6-2-1-3-7-20)23(27)29-22-17-26-15-12-19(22)13-16-26/h1-3,6-11,19,22,28H,4-5,12-17H2/t22-,24?/m1/s1
InChIKey HDCVIADZSOEXDV-LETIRJCYSA-N
Mol Weight 397.49 g/mol
Molecular Formula C24H28FNO3
Exact Mass 397.205322 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 14up99762ix
Name (R)-Azabicyclo[2.2.2]oct-3-yl (S)-.alpha.-Hydroxy-.alpha.-[4-(3-fluoropropyl)phenyl]benzeneacetate ((R,S)-FPrQNB
Comments Less than 3 mono-isotopic peaks
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Formula C24H28FNO3
InChI InChI=1S/C24H28FNO3/c25-14-4-5-18-8-10-21(11-9-18)24(28,20-6-2-1-3-7-20)23(27)29-22-17-26-15-12-19(22)13-16-26/h1-3,6-11,19,22,28H,4-5,12-17H2/t22-,24?/m1/s1
InChIKey HDCVIADZSOEXDV-LETIRJCYSA-N
Molecular Weight 397.490 g/mol
SMILES OC(C(O[C@@]1(CN2CCC1CC2)[H])=O)(c1ccc(cc1)CCCF)c1ccccc1
SPLASH splash10-0006-0091000000-b299d6e96f643f220895
Source of Spectrum E1-38-1717-19
Wiley ID 1598318