| SpectraBase Spectrum ID |
BeuqnQwrAZb |
| Name |
Terephthalic acid, piperidide, pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
303.183443666 u |
| Formula |
C18H25NO3 |
| InChI |
InChI=1S/C18H25NO3/c1-2-3-7-14-22-18(21)16-10-8-15(9-11-16)17(20)19-12-5-4-6-13-19/h8-11H,2-7,12-14H2,1H3 |
| InChIKey |
FHXVFTCQAAMCIJ-UHFFFAOYSA-N |
| SMILES |
C1(=CC=C(C=C1)C(OCCCCC)=O)C(N1CCCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913896 |
