| SpectraBase Spectrum ID |
30gXitJ4JFk |
| Name |
Sebacic acid, isobutyl 2-methoxyethyl 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/c1-15(2)14-22-17(19)11-9-7-5-4-6-8-10-16(18)21-13-12-20-3/h15H,4-14H2,1-3H3 |
| InChIKey |
HEZHPKMCRPJLTD-UHFFFAOYSA-N |
| Molecular Weight |
316.438 g/mol |
| SMILES |
C(OC(CCCCCCCCC(OCC(C)C)=O)=O)COC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.99126 |
