| SpectraBase Compound ID | DWcRRfAZjdr |
|---|---|
| InChI | InChI=1S/C10H15NO4/c1-7(4-5-11)8(10(13)15-3)6-9(12)14-2/h7-8H,4,6H2,1-3H3 |
| InChIKey | GIMZEYQACRJCJB-UHFFFAOYSA-N |
| Mol Weight | 213.23 g/mol |
| Molecular Formula | C10H15NO4 |
| Exact Mass | 213.100108 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1LGYhY0Khsn |
|---|---|
| Name | Dimethyl 2-(1-cyanopropan-2-yl)succinate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 213.100107963 u |
| Formula | C10H15NO4 |
| InChI | InChI=1S/C10H15NO4/c1-7(4-5-11)8(10(13)15-3)6-9(12)14-2/h7-8H,4,6H2,1-3H3 |
| InChIKey | GIMZEYQACRJCJB-UHFFFAOYSA-N |
| Molecular Weight | 213.233 g/mol |
| SMILES | C(C#N)C(C(CC(OC)=O)C(=O)OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.95421 |