| SpectraBase Spectrum ID |
8pJfmY3q3Sl |
| Name |
Diethyl 3-acetoxymethyl-4-methyl-3-cyclopentene-1,1-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
298.141638422 u |
| Formula |
C15H22O6 |
| InChI |
InChI=1S/C15H22O6/c1-5-19-13(17)15(14(18)20-6-2)7-10(3)12(8-15)9-21-11(4)16/h5-9H2,1-4H3 |
| InChIKey |
JHSZGPAFHWQIMI-UHFFFAOYSA-N |
| Molecular Weight |
298.335 g/mol |
| SMILES |
C1(CC(=C(C1)C)COC(=O)C)(C(=O)OCC)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976711 |
