| SpectraBase Spectrum ID |
KnWIItSgFHe |
| Name |
Pipecolylpipecolic acid, N-hexyloxycarbonyl-, hexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
452.325022520 u |
| Formula |
C25H44N2O5 |
| InChI |
InChI=1S/C25H44N2O5/c1-3-5-7-13-19-31-24(29)22-16-10-11-17-26(22)23(28)21-15-9-12-18-27(21)25(30)32-20-14-8-6-4-2/h21-22H,3-20H2,1-2H3 |
| InChIKey |
MCYNUHDWWQKFOF-UHFFFAOYSA-N |
| Molecular Weight |
452.636 g/mol |
| SMILES |
C1CCN(C(C1)C(OCCCCCC)=O)C(C1CCCCN1C(OCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.843945 |
