| SpectraBase Spectrum ID |
7XItXyWuku4 |
| Name |
Carbonic acid, neopentyl 2-ethylhexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
244.203844759 u |
| Formula |
C14H28O3 |
| InChI |
InChI=1S/C14H28O3/c1-6-8-9-12(7-2)10-16-13(15)17-11-14(3,4)5/h12H,6-11H2,1-5H3 |
| InChIKey |
LGERJXMQUXDYGA-UHFFFAOYSA-N |
| Molecular Weight |
244.375 g/mol |
| SMILES |
CC(COC(=O)OCC(CC)CCCC)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.977498 |
