| SpectraBase Spectrum ID |
9Y6B87SIw3u |
| Name |
Sebacic acid, 4-formylphenyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
348.193673997 u |
| Formula |
C20H28O5 |
| InChI |
InChI=1S/C20H28O5/c1-2-15-24-19(22)9-7-5-3-4-6-8-10-20(23)25-18-13-11-17(16-21)12-14-18/h11-14,16H,2-10,15H2,1H3 |
| InChIKey |
SDXQWJNKIYJMQA-UHFFFAOYSA-N |
| Molecular Weight |
348.439 g/mol |
| SMILES |
C(CCCCCCC(OC1=CC=C(C=O)C=C1)=O)CC(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.832997 |
