| SpectraBase Compound ID | GGtvxQKRv39 |
|---|---|
| InChI | InChI=1S/C16H31ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(18)19-15-14-17/h2-15H2,1H3 |
| InChIKey | MPNMNLLETRXDEX-UHFFFAOYSA-N |
| Mol Weight | 290.88 g/mol |
| Molecular Formula | C16H31ClO2 |
| Exact Mass | 290.201258 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | G7oUXHEG1UQ |
|---|---|
| Name | Myristic acid, 2-chloroethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.201257936 u |
| Formula | C16H31ClO2 |
| InChI | InChI=1S/C16H31ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(18)19-15-14-17/h2-15H2,1H3 |
| InChIKey | MPNMNLLETRXDEX-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCCCCCC(OCCCl)=O |
| Spectrum/Structure Validation Score (Raman) | 0.957998 |