SpectraBase Spectrum ID |
Ln3BNZFxbhp |
Name |
(2,2-Dimethyl-3-oxidanyl-propyl) 2,2-dimethylpropanoate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
188.141244501 u |
Formula |
C10H20O3 |
InChI |
InChI=1S/C10H20O3/c1-9(2,3)8(12)13-7-10(4,5)6-11/h11H,6-7H2,1-5H3 |
InChIKey |
JPRCUFGNDQWZFT-UHFFFAOYSA-N |
Molecular Weight |
188.267 g/mol |
SMILES |
C(C(C)(C)C)(OCC(CO)(C)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967665 |