| SpectraBase Spectrum ID |
KolRRQMZbBj |
| Name |
Methyl trans-1-methyl-2,3-dipiperidino-1,2,3,4-tetrahydropyridine-5-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
321.241627248 u |
| Formula |
C18H31N3O2 |
| InChI |
InChI=1S/C18H31N3O2/c1-19-14-15(18(22)23-2)13-16(20-9-5-3-6-10-20)17(19)21-11-7-4-8-12-21/h14,16-17H,3-13H2,1-2H3/t16-,17+/m0/s1 |
| InChIKey |
SYOGTEJDMZEZBZ-DLBZAZTESA-N |
| Molecular Weight |
321.465 g/mol |
| SMILES |
C1(=CN(C)[C@@]([C@](C1)(N1CCCCC1)[H])(N1CCCCC1)[H])C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.980683 |
