| SpectraBase Spectrum ID |
CnsnHOyZM6D |
| Name |
1,2-Cyclopentanedicarboxylic acid, 4-(1-methylethylidene)-, diethyl ester, trans- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
254.151809184 u |
| Formula |
C14H22O4 |
| InChI |
InChI=1S/C14H22O4/c1-5-17-13(15)11-7-10(9(3)4)8-12(11)14(16)18-6-2/h11-12H,5-8H2,1-4H3 |
| InChIKey |
PSPRKCKWHPVJLN-UHFFFAOYSA-N |
| Molecular Weight |
254.326 g/mol |
| SMILES |
CC(=C1CC(C(=O)OCC)C(C1)C(OCC)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934404 |
