| SpectraBase Spectrum ID |
CX8dVVrlSrb |
| Name |
11,12-Methylene-octadecanoic acid, pyrrolidide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
349.334465008 u |
| Formula |
C23H43NO |
| InChI |
InChI=1S/C23H43NO/c1-2-3-4-10-15-21-20-22(21)16-11-8-6-5-7-9-12-17-23(25)24-18-13-14-19-24/h21-22H,2-20H2,1H3 |
| InChIKey |
FPFOHXSQCYOUGV-UHFFFAOYSA-N |
| Molecular Weight |
349.603 g/mol |
| SMILES |
C(N1CCCC1)(CCCCCCCCCC1C(CCCCCC)C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.868038 |
