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(S)-2-((4-Methoxyphenyl)(pentan-3-yloxy)methyl)-N-methylaniline
SpectraBase Compound ID 1TS3FMpqiUy
InChI InChI=1S/C20H27NO2/c1-5-16(6-2)23-20(15-11-13-17(22-4)14-12-15)18-9-7-8-10-19(18)21-3/h7-14,16,20-21H,5-6H2,1-4H3/t20-/m0/s1
InChIKey ZDVCENFNISYION-FQEVSTJZSA-N
Mol Weight 313.44 g/mol
Molecular Formula C20H27NO2
Exact Mass 313.204179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AOJdpXdhu8c
Name (S)-2-((4-Methoxyphenyl)(pentan-3-yloxy)methyl)-N-methylaniline
Appearance Colorless oil
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Exact Mass 313.204179111 u
Formula C20H27NO2
InChI InChI=1S/C20H27NO2/c1-5-16(6-2)23-20(15-11-13-17(22-4)14-12-15)18-9-7-8-10-19(18)21-3/h7-14,16,20-21H,5-6H2,1-4H3/t20-/m0/s1
InChIKey ZDVCENFNISYION-FQEVSTJZSA-N
Instrument Name Shimadzu GC-MS QP2010
Ionization Type EI
Literature Reference DOI 10.1002/anie.201511179
Optical Rotation [a]D(RT) = -21.7 (c = 0.7, CHCl3)
Quality 54
Reported Formula C20H27NO2
SMILES N(C1=C(C=CC=C1)[C@](C1=CC=C(C=C1)OC)(OC(CC)CC)[H])C
SPLASH splash10-03k9-0192000000-c428c7f7f9e2bb236248
Sample Comments 92% ee
Source of Spectrum ACI-55-SM19-3l (DOI: 10.1002/anie.201511179)
Wiley ID 1897295