| SpectraBase Spectrum ID |
GeFfusHrwsu |
| Name |
(S)-2-((Cyclododecyloxy)(4-methoxyphenyl)methyl)-N-methylaniline |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
409.298079498 u |
| Formula |
C27H39NO2 |
| InChI |
InChI=1S/C27H39NO2/c1-28-26-17-13-12-16-25(26)27(22-18-20-23(29-2)21-19-22)30-24-14-10-8-6-4-3-5-7-9-11-15-24/h12-13,16-21,24,27-28H,3-11,14-15H2,1-2H3/t27-/m0/s1 |
| InChIKey |
ABJXNIKXZPSOQN-MHZLTWQESA-N |
| Instrument Name |
Shimadzu GC-MS QP2010 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201511179 |
| Molecular Weight |
409.614 g/mol |
| Optical Rotation |
[a]D(RT) = -15.4 (c = 2.4, CHCl3) |
| Quality |
178 |
| Reported Formula |
C27H39NO2 |
| SMILES |
N(C1=C([C@@](OC2CCCCCCCCCCC2)(C2=CC=C(C=C2)OC)[H])C=CC=C1)C |
| SPLASH |
splash10-024l-0290200000-86e9b81dee15fd459962 |
| Sample Comments |
93% ee |
| Source of Spectrum |
ACI-55-SM21-3o (DOI: 10.1002/anie.201511179) |
| Wiley ID |
1897298 |
