| SpectraBase Spectrum ID |
isTt41WiXb |
| Name |
Pentanedioic acid, 2-methyl-, bis(1-methylpropyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.183109313 u |
| Formula |
C14H26O4 |
| InChI |
InChI=1S/C14H26O4/c1-6-11(4)17-13(15)9-8-10(3)14(16)18-12(5)7-2/h10-12H,6-9H2,1-5H3 |
| InChIKey |
CXAGMOJLDAQFKE-UHFFFAOYSA-N |
| Molecular Weight |
258.358 g/mol |
| SMILES |
C(C(OC(CC)C)=O)(CCC(OC(CC)C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.987604 |
