| SpectraBase Spectrum ID |
Fx2x4SDdWKf |
| Name |
(S)-2-(Benzo[d][1,3]dioxol-5-yl(isopropoxy)methyl)-N-methylaniline |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
299.152143537 u |
| Formula |
C18H21NO3 |
| InChI |
InChI=1S/C18H21NO3/c1-12(2)22-18(14-6-4-5-7-15(14)19-3)13-8-9-16-17(10-13)21-11-20-16/h4-10,12,18-19H,11H2,1-3H3/t18-/m0/s1 |
| InChIKey |
MQWNYMZOIPHBJZ-SFHVURJKSA-N |
| Instrument Name |
Shimadzu GC-MS QP2010 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201511179 |
| Optical Rotation |
[a]D(RT) = -4.6 (c = 0.7, CHCl3) |
| Quality |
201 |
| Reported Formula |
C18H21NO3 |
| SMILES |
N(C1=C([C@](C=2C=CC3=C(C2)OCO3)(OC(C)C)[H])C=CC=C1)C |
| SPLASH |
splash10-0019-1490000000-db97da30713f652c7f6c |
| Sample Comments |
96% ee |
| Source of Spectrum |
ACI-55-SM16-3e (DOI: 10.1002/anie.201511179) |
| Wiley ID |
1897288 |
![(S)-2-(Benzo[d][1,3]dioxol-5-yl(isopropoxy)methyl)-N-methylaniline](/api/spectrum/Fx2x4SDdWKf/structure.png?h=300&w=458 "(S)-2-(Benzo[d][1,3]dioxol-5-yl(isopropoxy)methyl)-N-methylaniline")
