For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(S)-2-methyl-3-phenyl-N-((S)-1-phenylethyl)propan-1-amine
SpectraBase Compound ID FXX8kTUD5ri
InChI InChI=1S/C18H23N/c1-15(13-17-9-5-3-6-10-17)14-19-16(2)18-11-7-4-8-12-18/h3-12,15-16,19H,13-14H2,1-2H3/t15-,16-/m0/s1
InChIKey OAEHCLJGJBFEBQ-HOTGVXAUSA-N
Mol Weight 253.39 g/mol
Molecular Formula C18H23N
Exact Mass 253.18305 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID C1n7Z6bpUk2
Name (S)-2-methyl-3-phenyl-N-((S)-1-phenylethyl)propan-1-amine
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 253.183049745 u
Formula C18H23N
InChI InChI=1S/C18H23N/c1-15(13-17-9-5-3-6-10-17)14-19-16(2)18-11-7-4-8-12-18/h3-12,15-16,19H,13-14H2,1-2H3/t15-,16-/m0/s1
InChIKey OAEHCLJGJBFEBQ-HOTGVXAUSA-N
Instrument Name FINNIGAN MAT 95Q
Ionization Type EI
Literature Reference DOI 10.1002/anie.202214377
Molecular Weight 253.389 g/mol
Optical Rotation [a]D20 = -33 (c = 1.01, CHCl3)
Quality 77
Reported Formula C18H23N
SMILES N(C[C@@](C)(CC1=CC=CC=C1)[H])[C@@](C)(C1=CC=CC=C1)[H]
SPLASH splash10-0a4i-1910000000-f1881dc8bd26328e12f5
Sample Comments dr = 98:2, 96% ee
Source of Spectrum ACI-62-SM94-(2'S,3S)-8 (DOI: 10.1002/anie.202214377)
Wiley ID 1908200