SpectraBase Spectrum ID |
DvmNHJ9yej8 |
Name |
Piperidine-4-carboxylic acid, 1-carboxymethyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
187.084457899 u |
Formula |
C8H13NO4 |
InChI |
InChI=1S/C8H13NO4/c10-7(11)5-9-3-1-6(2-4-9)8(12)13/h6H,1-5H2,(H,10,11)(H,12,13) |
InChIKey |
QIJHOVKZVCDCBT-UHFFFAOYSA-N |
Molecular Weight |
187.195 g/mol |
SMILES |
C(C1CCN(CC1)CC(=O)O)(=O)O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.986352 |