| SpectraBase Compound ID | 68Fo4ar5KoX |
|---|---|
| InChI | InChI=1S/C13H22O4/c1-2-16-12(14)9-10-13(15)17-11-7-5-3-4-6-8-11/h11H,2-10H2,1H3 |
| InChIKey | ANUUANSTHKVOKA-UHFFFAOYSA-N |
| Mol Weight | 242.31 g/mol |
| Molecular Formula | C13H22O4 |
| Exact Mass | 242.151809 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | y7urxUbdn6 |
|---|---|
| Name | Succinic acid, cycloheptyl ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.151809184 u |
| Formula | C13H22O4 |
| InChI | InChI=1S/C13H22O4/c1-2-16-12(14)9-10-13(15)17-11-7-5-3-4-6-8-11/h11H,2-10H2,1H3 |
| InChIKey | ANUUANSTHKVOKA-UHFFFAOYSA-N |
| Molecular Weight | 242.315 g/mol |
| SMILES | C1CCC(CCC1)OC(CCC(OCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.818631 |