| SpectraBase Compound ID | L3YWR6nkRdH |
|---|---|
| InChI | InChI=1S/C12H20O4/c1-11(2,3)15-9(13)7-8-10(14)16-12(4,5)6/h7-8H,1-6H3/b8-7+ |
| InChIKey | MSVGHYYKWDQHFV-BQYQJAHWSA-N |
| Mol Weight | 228.29 g/mol |
| Molecular Formula | C12H20O4 |
| Exact Mass | 228.136159 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BVJLd7VzDHp |
|---|---|
| Name | Ditert-butyl (E)-but-2-enedioate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.136159120 u |
| Formula | C12H20O4 |
| InChI | InChI=1S/C12H20O4/c1-11(2,3)15-9(13)7-8-10(14)16-12(4,5)6/h7-8H,1-6H3/b8-7+ |
| InChIKey | MSVGHYYKWDQHFV-BQYQJAHWSA-N |
| Molecular Weight | 228.288 g/mol |
| SMILES | C(=O)(OC(C)(C)C)\C=C\C(=O)OC(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.987084 |