| SpectraBase Compound ID | 79lYKeQ3oIv |
|---|---|
| InChI | InChI=1S/C13H14O4/c1-2-16-12(14)8-9-13(15)17-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3/b9-8+ |
| InChIKey | MUDSDAJUOPGCND-CMDGGOBGSA-N |
| Mol Weight | 234.25 g/mol |
| Molecular Formula | C13H14O4 |
| Exact Mass | 234.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5HrCrEaru4G |
|---|---|
| Name | 1-Benzyl 4-ethyl (2Z)-2-butenedioate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.089208927 u |
| Formula | C13H14O4 |
| InChI | InChI=1S/C13H14O4/c1-2-16-12(14)8-9-13(15)17-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3/b9-8+ |
| InChIKey | MUDSDAJUOPGCND-CMDGGOBGSA-N |
| Molecular Weight | 234.251 g/mol |
| SMILES | CCOC(=O)\C=C\C(=O)OCC1=CC=CC=C1 |