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(S)-Methyl 4'-(1-(diallylamino)-2-fluoropropan-2-yl)-biphenyl-4-carboxylate
SpectraBase Compound ID ASJ95GJANQ7
InChI InChI=1S/C23H26FNO2/c1-5-15-25(16-6-2)17-23(3,24)21-13-11-19(12-14-21)18-7-9-20(10-8-18)22(26)27-4/h5-14H,1-2,15-17H2,3-4H3/t23-/m1/s1
InChIKey MBLBULBQLKOIPK-HSZRJFAPSA-N
Mol Weight 367.46 g/mol
Molecular Formula C23H26FNO2
Exact Mass 367.194757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4nKUXFGvVHI
Name (S)-Methyl 4'-(1-(diallylamino)-2-fluoropropan-2-yl)-biphenyl-4-carboxylate
Appearance Colorless oil
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Formula C23H26FNO2
InChI InChI=1S/C23H26FNO2/c1-5-15-25(16-6-2)17-23(3,24)21-13-11-19(12-14-21)18-7-9-20(10-8-18)22(26)27-4/h5-14H,1-2,15-17H2,3-4H3/t23-/m1/s1
InChIKey MBLBULBQLKOIPK-HSZRJFAPSA-N
Instrument Name Hewlett-Packard tandem 5890A GC -5971
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.p008.252
Molecular Weight 367.464 g/mol
Optical Rotation [a]D25 = -5.3 (c = 1.0, CHCl3)
Reported Formula C23H26FNO2
SMILES c1([C@@](F)(C)CN(CC=C)CC=C)ccc(-c2ccc(C(OC)=O)cc2)cc1
SPLASH splash10-03di-0901000000-7ce1897673674d6acc2c
Source of Spectrum ARK-2014-252-21
Wiley ID 1843286