| SpectraBase Spectrum ID |
S4cMJzWKIz |
| Name |
Cyclohexaneglycolic acid, .alpha.-phenyl-, 1-methyl-3-piperidyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
331.214743795 u |
| Formula |
C20H29NO3 |
| InChI |
InChI=1S/C20H29NO3/c1-21-14-8-13-18(15-21)24-19(22)20(23,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2,4-5,9-10,17-18,23H,3,6-8,11-15H2,1H3 |
| InChIKey |
LCFBCKSQWVQIBY-UHFFFAOYSA-N |
| Molecular Weight |
331.456 g/mol |
| SMILES |
C1CC(CN(C1)C)OC(=O)C(O)(C1CCCCC1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923387 |
