| SpectraBase Compound ID | 8q5Oo3IrTLH |
|---|---|
| InChI | InChI=1S/C10H16O4/c1-4-14-10(12)8(2)6-5-7-9(11)13-3/h2,4-7H2,1,3H3 |
| InChIKey | KVDBPLMNLMBVFJ-UHFFFAOYSA-N |
| Mol Weight | 200.23 g/mol |
| Molecular Formula | C10H16O4 |
| Exact Mass | 200.104859 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6y7N4sBEM5A |
|---|---|
| Name | 1-Ethyl 6-methyl 2-methylenehexanedioate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.104858991 u |
| Formula | C10H16O4 |
| InChI | InChI=1S/C10H16O4/c1-4-14-10(12)8(2)6-5-7-9(11)13-3/h2,4-7H2,1,3H3 |
| InChIKey | KVDBPLMNLMBVFJ-UHFFFAOYSA-N |
| Molecular Weight | 200.234 g/mol |
| SMILES | C(C(CCCC(=O)OC)=C)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.967024 |