| SpectraBase Spectrum ID |
CrhoLCmwwX1 |
| Name |
Hexanedioic acid, 2,5-diethylidene-, dimethyl ester, (E,E)- |
| 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/c1-5-9(11(13)15-3)7-8-10(6-2)12(14)16-4/h5-6H,7-8H2,1-4H3/b9-5+,10-6+ |
| InChIKey |
NDOVDBPGLOLZGR-NXZHAISVSA-N |
| Molecular Weight |
226.272 g/mol |
| SMILES |
C(\C(CC\C(C(=O)OC)=C/C)=C\C)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970926 |
