| SpectraBase Spectrum ID |
BR7d43xtXOU |
| Name |
methyl (S)-4-((5,8-dioxohexahydroindolizin-8a(1H)-yl)methyl)benzoate |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
301.131408092 u |
| Formula |
C17H19NO4 |
| InChI |
InChI=1S/C17H19NO4/c1-22-16(21)13-5-3-12(4-6-13)11-17-9-2-10-18(17)15(20)8-7-14(17)19/h3-6H,2,7-11H2,1H3/t17-/m0/s1 |
| InChIKey |
PXFWNOQQEGJQLU-KRWDZBQOSA-N |
| Instrument Name |
Shimadzu GCMSQP2010SE |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202107909 |
| Molecular Weight |
301.342 g/mol |
| Optical Rotation |
[a]D28 = 350 (c = 0.90, CHCl3) |
| Quality |
193 |
| SMILES |
C1C([C@@]2(N(C(C1)=O)CCC2)CC1=CC=C(C=C1)C(=O)OC)=O |
| SPLASH |
splash10-006w-1920000000-c51fd29effc8e4d12cbe |
| Sample Comments |
99% ee |
| Source of Spectrum |
ACI-60-SM61-4g (DOI: 10.1002/anie.202107909) |
| Wiley ID |
1891387 |
