| SpectraBase Spectrum ID |
FpVF1mkTW6o |
| Name |
Diglycolic acid, butyl neopentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
260.162373868 u |
| Formula |
C13H24O5 |
| InChI |
InChI=1S/C13H24O5/c1-5-6-7-17-11(14)8-16-9-12(15)18-10-13(2,3)4/h5-10H2,1-4H3 |
| InChIKey |
BDQWQSZWDUICRI-UHFFFAOYSA-N |
| Molecular Weight |
260.330 g/mol |
| SMILES |
C(COCC(=O)OCCCC)(=O)OCC(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.857502 |
