| SpectraBase Spectrum ID |
GhLbMtXM39K |
| Name |
Diglycolic acid, di(2-methylbutyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
274.178023932 u |
| Formula |
C14H26O5 |
| InChI |
InChI=1S/C14H26O5/c1-5-11(3)7-18-13(15)9-17-10-14(16)19-8-12(4)6-2/h11-12H,5-10H2,1-4H3 |
| InChIKey |
QKBABHZCAXPULQ-UHFFFAOYSA-N |
| Molecular Weight |
274.357 g/mol |
| SMILES |
C(COCC(=O)OCC(CC)C)(=O)OCC(C)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.980514 |
