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(S)-2-(Isopropoxy(4-phenoxyphenyl)methyl)-N-methylaniline
SpectraBase Compound ID JEAQNHoHVNU
InChI InChI=1S/C23H25NO2/c1-17(2)25-23(21-11-7-8-12-22(21)24-3)18-13-15-20(16-14-18)26-19-9-5-4-6-10-19/h4-17,23-24H,1-3H3/t23-/m0/s1
InChIKey FGNYNBDRQZIWIW-QHCPKHFHSA-N
Mol Weight 347.46 g/mol
Molecular Formula C23H25NO2
Exact Mass 347.188529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EAFkKWotL1P
Name (S)-2-(Isopropoxy(4-phenoxyphenyl)methyl)-N-methylaniline
Appearance Colorless oil
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Formula C23H25NO2
InChI InChI=1S/C23H25NO2/c1-17(2)25-23(21-11-7-8-12-22(21)24-3)18-13-15-20(16-14-18)26-19-9-5-4-6-10-19/h4-17,23-24H,1-3H3/t23-/m0/s1
InChIKey FGNYNBDRQZIWIW-QHCPKHFHSA-N
Instrument Name Shimadzu GC-MS QP2010
Ionization Type EI
Literature Reference DOI 10.1002/anie.201511179
Molecular Weight 347.458 g/mol
Optical Rotation [a]D(RT) = +15.7 (c = 0.6, CHCl3)
Quality 143
Reported Formula C23H25NO2
SMILES N(C1=C([C@@](OC(C)C)(C2=CC=C(C=C2)OC2=CC=CC=C2)[H])C=CC=C1)C
SPLASH splash10-000l-4792000000-c8fdb8bfc72025e66bd7
Sample Comments 76% ee
Source of Spectrum ACI-55-SM15-3d (DOI: 10.1002/anie.201511179)
Wiley ID 1897287