| SpectraBase Compound ID | 41lZMaq955P |
|---|---|
| InChI | InChI=1S/C9H14O6/c1-12-5-6(13-2)7(8(10)14-3)9(11)15-4/h5H2,1-4H3 |
| InChIKey | CZBILQAHYGFSBH-UHFFFAOYSA-N |
| Mol Weight | 218.2 g/mol |
| Molecular Formula | C9H14O6 |
| Exact Mass | 218.079038 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 79EIDtrqiLT |
|---|---|
| Name | Methyl 3,4-dimethoxt-2-methoxycarbonyl-3-butenoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.079038165 u |
| Formula | C9H14O6 |
| InChI | InChI=1S/C9H14O6/c1-12-5-6(13-2)7(8(10)14-3)9(11)15-4/h5H2,1-4H3 |
| InChIKey | CZBILQAHYGFSBH-UHFFFAOYSA-N |
| Molecular Weight | 218.205 g/mol |
| SMILES | C(C(=O)OC)(C(=O)OC)=C(OC)COC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972076 |