| SpectraBase Spectrum ID |
C8rVpd5OjP2 |
| Name |
Trans-3-cyclopentene-1,2-dicarboxylic acid, 3-acetyl- 4-methyl-, diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
268.131073739 u |
| Formula |
C14H20O5 |
| InChI |
InChI=1S/C14H20O5/c1-5-18-13(16)10-7-8(3)11(9(4)15)12(10)14(17)19-6-2/h10,12H,5-7H2,1-4H3 |
| InChIKey |
PDLUCGWOCZGTMY-UHFFFAOYSA-N |
| Molecular Weight |
268.309 g/mol |
| SMILES |
CC=1CC(C(=O)OCC)C(C1C(=O)C)C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852363 |
