| SpectraBase Compound ID | EzDmbN81Lai |
|---|---|
| InChI | InChI=1S/C16H26O4/c1-4-7-8-9-10-14(6-3)20-16(18)12-11-15(17)19-13-5-2/h14H,4-7,10-13H2,1-3H3 |
| InChIKey | WPGDUMRPPGZMFF-UHFFFAOYSA-N |
| Mol Weight | 282.38 g/mol |
| Molecular Formula | C16H26O4 |
| Exact Mass | 282.183109 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AN7evJ8tLG6 |
|---|---|
| Name | Succinic acid, non-5-yn-3-yl propyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.183109313 u |
| Formula | C16H26O4 |
| InChI | InChI=1S/C16H26O4/c1-4-7-8-9-10-14(6-3)20-16(18)12-11-15(17)19-13-5-2/h14H,4-7,10-13H2,1-3H3 |
| InChIKey | WPGDUMRPPGZMFF-UHFFFAOYSA-N |
| SMILES | C(OC(CCC(=O)OCCC)=O)(CC#CCCC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.98707 |