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(S)-2-(Isopropoxy(naphthalen-1-yl)methyl)-N-methylaniline
SpectraBase Compound ID A3xi5NNpBOg
InChI InChI=1S/C21H23NO/c1-15(2)23-21(19-12-6-7-14-20(19)22-3)18-13-8-10-16-9-4-5-11-17(16)18/h4-15,21-22H,1-3H3/t21-/m0/s1
InChIKey UILMTYVXKVFEFL-NRFANRHFSA-N
Mol Weight 305.42 g/mol
Molecular Formula C21H23NO
Exact Mass 305.177964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3UES8RZ48jX
Name (S)-2-(Isopropoxy(naphthalen-1-yl)methyl)-N-methylaniline
Appearance Colorless oil
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Exact Mass 305.177964364 u
Formula C21H23NO
InChI InChI=1S/C21H23NO/c1-15(2)23-21(19-12-6-7-14-20(19)22-3)18-13-8-10-16-9-4-5-11-17(16)18/h4-15,21-22H,1-3H3/t21-/m0/s1
InChIKey UILMTYVXKVFEFL-NRFANRHFSA-N
Instrument Name Shimadzu GC-MS QP2010
Ionization Type EI
Literature Reference DOI 10.1002/anie.201511179
Optical Rotation [a]D(RT) = +18.1 (c = 1.4, CHCl3)
Quality 203
Reported Formula C21H23NO
SMILES N(C1=C(C=CC=C1)[C@](C1=C2C(=CC=C1)C=CC=C2)(OC(C)C)[H])C
SPLASH splash10-052g-1393000000-eb3db3a87031977fb8a4
Sample Comments 92% ee
Source of Spectrum ACI-55-SM18-3i (DOI: 10.1002/anie.201511179)
Wiley ID 1897292