| SpectraBase Spectrum ID |
1NDNoFSzueK |
| Name |
Sebacic acid, 2-ethoxyethyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
316.224974125 u |
| Formula |
C17H32O5 |
| InChI |
InChI=1S/C17H32O5/c1-3-13-21-16(18)11-9-7-5-6-8-10-12-17(19)22-15-14-20-4-2/h3-15H2,1-2H3 |
| InChIKey |
FCRQBLRUWJCZQL-UHFFFAOYSA-N |
| Molecular Weight |
316.438 g/mol |
| SMILES |
C(C(OCCOCC)=O)CCCCCCCC(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.992159 |
