| SpectraBase Compound ID | 98reb3evzPa |
|---|---|
| InChI | InChI=1S/C15H26O3/c1-3-4-5-6-7-8-9-10-11-12-13-18-15(16)14-17-2/h3,6-14H2,1-2H3 |
| InChIKey | FFDPMJKLHSHWCY-UHFFFAOYSA-N |
| Mol Weight | 254.37 g/mol |
| Molecular Formula | C15H26O3 |
| Exact Mass | 254.188195 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CXgqMxQT7Fp |
|---|---|
| Name | Methoxyacetic acid, dodec-9-ynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.188194694 u |
| Formula | C15H26O3 |
| InChI | InChI=1S/C15H26O3/c1-3-4-5-6-7-8-9-10-11-12-13-18-15(16)14-17-2/h3,6-14H2,1-2H3 |
| InChIKey | FFDPMJKLHSHWCY-UHFFFAOYSA-N |
| Molecular Weight | 254.370 g/mol |
| SMILES | C(CCCC#CCC)CCCCOC(=O)COC |