SpectraBase Spectrum ID |
4WD04De2ezV |
Name |
1,11-Undecanedioic acid, pyrrolidide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
322.262028341 u |
Formula |
C19H34N2O2 |
InChI |
InChI=1S/C19H34N2O2/c22-18(20-14-8-9-15-20)12-6-4-2-1-3-5-7-13-19(23)21-16-10-11-17-21/h1-17H2 |
InChIKey |
OKSQMACTYXNPKY-UHFFFAOYSA-N |
Molecular Weight |
322.493 g/mol |
SMILES |
C1N(CCC1)C(CCCCCCCCCC(N1CCCC1)=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.867775 |