| SpectraBase Spectrum ID |
1fAdiqXYDUr |
| Name |
Octanedioic acid, 4-oxo-, 8-ethyl 1-methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
230.115423675 u |
| Formula |
C11H18O5 |
| InChI |
InChI=1S/C11H18O5/c1-3-16-11(14)6-4-5-9(12)7-8-10(13)15-2/h3-8H2,1-2H3 |
| InChIKey |
DLCCHFXAAMNZRK-UHFFFAOYSA-N |
| Molecular Weight |
230.260 g/mol |
| SMILES |
C(=O)(CCC(=O)CCCC(=O)OCC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.990071 |
