SpectraBase Spectrum ID |
CQirsRlvdkY |
Name |
Adipic acid, monopiperidide, propyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
255.183443666 u |
Formula |
C14H25NO3 |
InChI |
InChI=1S/C14H25NO3/c1-2-12-18-14(17)9-5-4-8-13(16)15-10-6-3-7-11-15/h2-12H2,1H3 |
InChIKey |
MRKLMMFQMKAVKI-UHFFFAOYSA-N |
Molecular Weight |
255.358 g/mol |
SMILES |
C(C(=O)N1CCCCC1)CCCC(OCCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913976 |