| SpectraBase Compound ID | BmscKhpJ5wB |
|---|---|
| InChI | InChI=1S/C14H26O4/c1-4-7-10-17-13(15)11-14(16)18-12(8-5-2)9-6-3/h12H,4-11H2,1-3H3 |
| InChIKey | ORLSDJSCOKRFNP-UHFFFAOYSA-N |
| Mol Weight | 258.36 g/mol |
| Molecular Formula | C14H26O4 |
| Exact Mass | 258.183109 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8pLqtkUcq6I |
|---|---|
| Name | Malonic acid, butyl 4-heptyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.183109313 u |
| Formula | C14H26O4 |
| InChI | InChI=1S/C14H26O4/c1-4-7-10-17-13(15)11-14(16)18-12(8-5-2)9-6-3/h12H,4-11H2,1-3H3 |
| InChIKey | ORLSDJSCOKRFNP-UHFFFAOYSA-N |
| Molecular Weight | 258.358 g/mol |
| SMILES | C(C(OC(CCC)CCC)=O)C(OCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.976874 |