| SpectraBase Spectrum ID |
52uKkKjhBAw |
| Name |
2,4,4,6-Tetramethyl-4H-pyran-3-carboxylic acid, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
210.125594437 u |
| Formula |
C12H18O3 |
| InChI |
InChI=1S/C12H18O3/c1-6-14-11(13)10-9(3)15-8(2)7-12(10,4)5/h7H,6H2,1-5H3 |
| InChIKey |
PLEJKTJXRLZCTA-UHFFFAOYSA-N |
| Molecular Weight |
210.273 g/mol |
| SMILES |
C=1C(C(=C(OC1C)C)C(OCC)=O)(C)C |
| Spectrum/Structure Validation Score (Raman) |
0.724516 |
