![2-Butenoic acid, 3-[2-phenyldiazenyl]-, ethyl ester](/api/spectrum/Kr9XvBApRlG/structure.png?h=300&w=458 "2-Butenoic acid, 3-[2-phenyldiazenyl]-, ethyl ester")
| SpectraBase Compound ID | LVp73ZQn3M2 |
|---|---|
| InChI | InChI=1S/C12H14N2O2/c1-3-16-12(15)9-10(2)13-14-11-7-5-4-6-8-11/h4-9H,3H2,1-2H3/b10-9+,14-13+ |
| InChIKey | SYILWKQARSJBSW-LBSPPQMYSA-N |
| Mol Weight | 218.26 g/mol |
| Molecular Formula | C12H14N2O2 |
| Exact Mass | 218.105528 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kr9XvBApRlG |
|---|---|
| Name | 2-Butenoic acid, 3-[2-phenyldiazenyl]-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.105527697 u |
| Formula | C12H14N2O2 |
| InChI | InChI=1S/C12H14N2O2/c1-3-16-12(15)9-10(2)13-14-11-7-5-4-6-8-11/h4-9H,3H2,1-2H3/b10-9+,14-13+ |
| InChIKey | SYILWKQARSJBSW-LBSPPQMYSA-N |
| Molecular Weight | 218.256 g/mol |
| SMILES | CCOC(=O)\C=C/(C)\N=N\C1=CC=CC=C1 |