| SpectraBase Spectrum ID |
GooFA41dhRs |
| Name |
Pimelic acid, ethyl 3-phenylpropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.183109313 u |
| Formula |
C18H26O4 |
| InChI |
InChI=1S/C18H26O4/c1-2-21-17(19)13-7-4-8-14-18(20)22-15-9-12-16-10-5-3-6-11-16/h3,5-6,10-11H,2,4,7-9,12-15H2,1H3 |
| InChIKey |
UIONKALDTDWGHV-UHFFFAOYSA-N |
| Molecular Weight |
306.402 g/mol |
| SMILES |
C(OCCCC1=CC=CC=C1)(=O)CCCCCC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.818278 |
