| SpectraBase Spectrum ID |
7hbpSVFfaYL |
| Name |
(1R,2R)-1-Phenyl-2-((2S)-(trifluoromethyl)aziridin-1-yl)propan-1-ol |
| Appearance |
Transparent colorless oil |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
245.102748563 u |
| Formula |
C12H14F3NO |
| InChI |
InChI=1S/C12H14F3NO/c1-8(16-7-10(16)12(13,14)15)11(17)9-5-3-2-4-6-9/h2-6,8,10-11,17H,7H2,1H3/t8-,10+,11+,16?/m1/s1 |
| InChIKey |
ZWZUDUOZFUSICF-VLCZLDOWSA-N |
| Instrument Name |
Agilent 5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201802347 |
| Molecular Weight |
245.245 g/mol |
| Quality |
137 |
| Reported Formula |
C12H13F3NO |
| SMILES |
O[C@](C=1C=CC=CC1)([C@@](C)(N1C[C@]1(C(F)(F)F)[H])[H])[H] |
| SPLASH |
splash10-004r-9600000000-ae34f7441975f6aadacc |
| Sample Comments |
Diastereomer 2 |
| Source of Spectrum |
ACI-57-SM37-3k, Dia2 (DOI: 10.1002/anie.201802347) |
| Thin-Layer Chromatography |
0.43 (hexanes/ethyl acetate, 5:1) |
| Wiley ID |
1891047 |
