| SpectraBase Spectrum ID |
IqiCQM0Dk7y |
| Name |
1-Piperidinecarboxylic acid, 2-(3-hydroxyheptyl)-6-methyl-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
271.214743795 u |
| Formula |
C15H29NO3 |
| InChI |
InChI=1S/C15H29NO3/c1-4-5-9-14(17)11-10-13-8-6-7-12(2)16(13)15(18)19-3/h12-14,17H,4-11H2,1-3H3 |
| InChIKey |
QHZXNKDIDUJNOE-UHFFFAOYSA-N |
| Molecular Weight |
271.401 g/mol |
| SMILES |
C(N1C(CCC(O)CCCC)CCCC1C)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.85886 |
