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(S)-2-(Isopropoxy(naphthalen-2-yl)methyl)-N-methylaniline
SpectraBase Compound ID GUqaFa2zEKl
InChI InChI=1S/C21H23NO/c1-15(2)23-21(19-10-6-7-11-20(19)22-3)18-13-12-16-8-4-5-9-17(16)14-18/h4-15,21-22H,1-3H3/t21-/m0/s1
InChIKey AEBCDIAZAVYTQJ-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 DRwVJGyy74b
Name (S)-2-(Isopropoxy(naphthalen-2-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(19-10-6-7-11-20(19)22-3)18-13-12-16-8-4-5-9-17(16)14-18/h4-15,21-22H,1-3H3/t21-/m0/s1
InChIKey AEBCDIAZAVYTQJ-NRFANRHFSA-N
Instrument Name Shimadzu GC-MS QP2010
Ionization Type EI
Literature Reference DOI 10.1002/anie.201511179
Optical Rotation [a]D(RT) = +7.1 (c = 0.3, CHCl3)
Quality 165
Reported Formula C21H23NO
SMILES N(C1=C(C=CC=C1)[C@](C1=CC=C2C(=C1)C=CC=C2)(OC(C)C)[H])C
SPLASH splash10-052g-0293000000-d2feb9c6f5f31a0cf0c6
Sample Comments 88% ee
Source of Spectrum ACI-55-SM17-3h (DOI: 10.1002/anie.201511179)
Wiley ID 1897291