| SpectraBase Spectrum ID |
DFhPyBu8JjZ |
| Name |
Sebacic acid, ethyl 3-oxobut-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
300.193673997 u |
| Formula |
C16H28O5 |
| InChI |
InChI=1S/C16H28O5/c1-4-20-15(18)11-9-7-5-6-8-10-12-16(19)21-14(3)13(2)17/h14H,4-12H2,1-3H3 |
| InChIKey |
MOZSPBJGHKTCQW-UHFFFAOYSA-N |
| Molecular Weight |
300.395 g/mol |
| SMILES |
C(CCCC(OC(C(C)=O)C)=O)CCCCC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.985466 |
