| SpectraBase Spectrum ID |
5QtLUKZ3S6M |
| Name |
(S)-8a-(4-(trifluoromethyl)benzyl)hexahydroindolizine-5,8-dione |
| Appearance |
White oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
311.113313246 u |
| Formula |
C16H16F3NO2 |
| InChI |
InChI=1S/C16H16F3NO2/c17-16(18,19)12-4-2-11(3-5-12)10-15-8-1-9-20(15)14(22)7-6-13(15)21/h2-5H,1,6-10H2/t15-/m0/s1 |
| InChIKey |
ZRDJLOWQSCIUNP-HNNXBMFYSA-N |
| Instrument Name |
Shimadzu GCMSQP2010SE |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202107909 |
| Molecular Weight |
311.304 g/mol |
| Optical Rotation |
[a]D26 = 138 (c = 1.0, CHCl3) |
| Quality |
85 |
| SMILES |
C1C([C@@]2(N(C(C1)=O)CCC2)CC1=CC=C(C=C1)C(F)(F)F)=O |
| SPLASH |
splash10-0a4i-0910000000-5a210d7c69b24d670508 |
| Sample Comments |
99% ee |
| Source of Spectrum |
ACI-60-SM59-4e (DOI: 10.1002/anie.202107909) |
| Wiley ID |
1891385 |
