| SpectraBase Spectrum ID |
FL4j9e8NN1c |
| Name |
Sebacic acid, ethyl 1-naphthyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.198759378 u |
| Formula |
C22H28O4 |
| InChI |
InChI=1S/C22H28O4/c1-2-25-21(23)16-7-5-3-4-6-8-17-22(24)26-20-15-11-13-18-12-9-10-14-19(18)20/h9-15H,2-8,16-17H2,1H3 |
| InChIKey |
UOLZVKLBSAZAPQ-UHFFFAOYSA-N |
| Molecular Weight |
356.462 g/mol |
| SMILES |
C(CCCCCCCC(OC=1C2=CC=CC=C2C=CC1)=O)C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.87632 |
