| SpectraBase Spectrum ID |
H4rr38mQNIJ |
| Name |
Methyl R-2-tert-butoxycarbonyl-C-5-[2'-(1'',3''-dioxolan-2''-yl)ethyl]pyrrolidin-C-4-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
329.183837587 u |
| Formula |
C16H27NO6 |
| InChI |
InChI=1S/C16H27NO6/c1-16(2,3)23-15(19)12-9-10(14(18)20-4)11(17-12)5-6-13-21-7-8-22-13/h10-13,17H,5-9H2,1-4H3/t10-,11-,12-/m0/s1 |
| InChIKey |
CKRCULOMQWKTMD-SRVKXCTJSA-N |
| Molecular Weight |
329.393 g/mol |
| SMILES |
[C@@]1([C@@](N[C@@](C1)(C(OC(C)(C)C)=O)[H])(CCC1OCCO1)[H])(C(=O)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.867336 |
![Methyl r-2-tert-butoxycarbonyl-c-5-[2'-(1'',3''-Dioxolan-2''-yl)ethyl]pyrrolidin-c-4-carboxylate](/api/spectrum/H4rr38mQNIJ/structure.png?h=300&w=458 "Methyl r-2-tert-butoxycarbonyl-c-5-[2'-(1'',3''-Dioxolan-2''-yl)ethyl]pyrrolidin-c-4-carboxylate")
