| SpectraBase Spectrum ID |
8sgDWWsPmYX |
| Name |
(7R,8S,8as)-8-( 4'-Chlorobenzylideneamino)-7-isopropylindolizidine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.170626513 u |
| Formula |
C18H25ClN2 |
| InChI |
InChI=1S/C18H25ClN2/c1-13(2)16-9-11-21-10-3-4-17(21)18(16)20-12-14-5-7-15(19)8-6-14/h5-8,12-13,16-18H,3-4,9-11H2,1-2H3/b20-12+/t16-,17+,18+/m1/s1 |
| InChIKey |
ZIZBEFDQZLJMSX-GPSZKOGESA-N |
| Molecular Weight |
304.865 g/mol |
| SMILES |
[C@]1(\N=C\C=2C=CC(=CC2)Cl)([C@]2(N(CCC2)CC[C@@]1(C(C)C)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.849835 |
