| SpectraBase Spectrum ID |
IdWAYJvhpB8 |
| Name |
(S)-2-((Cycloheptyloxy)(4-methoxyphenyl)methyl)-N-methylaniline |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
339.219829176 u |
| Formula |
C22H29NO2 |
| InChI |
InChI=1S/C22H29NO2/c1-23-21-12-8-7-11-20(21)22(17-13-15-18(24-2)16-14-17)25-19-9-5-3-4-6-10-19/h7-8,11-16,19,22-23H,3-6,9-10H2,1-2H3/t22-/m0/s1 |
| InChIKey |
PHHNYQQCEQJXIL-QFIPXVFZSA-N |
| Instrument Name |
Shimadzu GC-MS QP2010 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201511179 |
| Molecular Weight |
339.479 g/mol |
| Optical Rotation |
[a]D(RT) = -5.5 (c = 1.7, CHCl3) |
| Quality |
187 |
| Reported Formula |
C22H29NO2 |
| SMILES |
N(C1=C(C=CC=C1)[C@](C1=CC=C(C=C1)OC)(OC1CCCCCC1)[H])C |
| SPLASH |
splash10-022c-1392000000-c7c5d135c5450a718e6f |
| Sample Comments |
82% ee |
| Source of Spectrum |
ACI-55-SM20-3n (DOI: 10.1002/anie.201511179) |
| Wiley ID |
1897297 |
