| SpectraBase Spectrum ID |
LRIWbyMv2z |
| Name |
Methyl (cis)-5-oxo-2-pentylpyrrolidine-3-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
213.136493473 u |
| Formula |
C11H19NO3 |
| InChI |
InChI=1S/C11H19NO3/c1-3-4-5-6-9-8(11(14)15-2)7-10(13)12-9/h8-9H,3-7H2,1-2H3,(H,12,13)/t8-,9-/m1/s1 |
| InChIKey |
UAQZGGUDPKNALM-RKDXNWHRSA-N |
| Molecular Weight |
213.277 g/mol |
| SMILES |
[C@]1(NC(C[C@]1(C(=O)OC)[H])=O)(CCCCC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964804 |
