| SpectraBase Spectrum ID |
36GaDHA3gqr |
| Name |
2-(2,6,6-Trimethyl-5-oxidanylidene-pyran-2-yl)ethyl ethanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
226.120509056 u |
| Formula |
C12H18O4 |
| InChI |
InChI=1S/C12H18O4/c1-9(13)15-8-7-12(4)6-5-10(14)11(2,3)16-12/h5-6H,7-8H2,1-4H3 |
| InChIKey |
FRGZHFNTDGALOL-UHFFFAOYSA-N |
| Molecular Weight |
226.272 g/mol |
| SMILES |
C1(OC(C=CC1=O)(CCOC(=O)C)C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.902427 |
