| SpectraBase Spectrum ID |
A55oWhylAmv |
| Name |
Dimethyl 3-benzylpyrrolizidine-1,3-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
317.162708221 u |
| Formula |
C18H23NO4 |
| InChI |
InChI=1S/C18H23NO4/c1-22-16(20)14-12-18(17(21)23-2,19-10-6-9-15(14)19)11-13-7-4-3-5-8-13/h3-5,7-8,14-15H,6,9-12H2,1-2H3/t14-,15-,18-/m0/s1 |
| InChIKey |
WMXAMFGMRRJQFX-MPGHIAIKSA-N |
| Molecular Weight |
317.385 g/mol |
| SMILES |
[C@]1(N2[C@@](CCC2)([C@](C1)(C(=O)OC)[H])[H])(C(=O)OC)CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.843905 |
