| SpectraBase Spectrum ID |
BzNMl9gcb75 |
| Name |
4-(Aminomethyl)-4-fluoro-piperidine-1-carboxylic acid, N-acetyl-, tert-butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
274.169270769 u |
| Formula |
C13H23FN2O3 |
| InChI |
InChI=1S/C13H23FN2O3/c1-10(17)15-9-13(14)5-7-16(8-6-13)11(18)19-12(2,3)4/h5-9H2,1-4H3,(H,15,17) |
| InChIKey |
IYFKTNACTVAMPJ-UHFFFAOYSA-N |
| Molecular Weight |
274.336 g/mol |
| SMILES |
C1(F)(CCN(CC1)C(=O)OC(C)(C)C)CNC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976048 |
