| SpectraBase Compound ID | 2XAPzKQphr8 |
|---|---|
| InChI | InChI=1S/C16H30O4/c1-2-20-16(19)14-12-10-8-6-4-3-5-7-9-11-13-15(17)18/h2-14H2,1H3,(H,17,18) |
| InChIKey | KMBWNRQMWBZFLT-UHFFFAOYSA-N |
| Mol Weight | 286.41 g/mol |
| Molecular Formula | C16H30O4 |
| Exact Mass | 286.214409 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | F4wIYNTNbnf |
|---|---|
| Name | Tetradecanedioic acid, monoethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.214409442 u |
| Formula | C16H30O4 |
| InChI | InChI=1S/C16H30O4/c1-2-20-16(19)14-12-10-8-6-4-3-5-7-9-11-13-15(17)18/h2-14H2,1H3,(H,17,18) |
| InChIKey | KMBWNRQMWBZFLT-UHFFFAOYSA-N |
| SMILES | C(=O)(O)CCCCCCCCCCCCC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.983519 |