| SpectraBase Compound ID | Ir67VxRLZfu |
|---|---|
| InChI | InChI=1S/C16H27Cl3O4/c1-3-23-15(21)16(18,19)12-13(17)10-8-6-4-5-7-9-11-14(20)22-2/h13H,3-12H2,1-2H3 |
| InChIKey | NCWMRQBXAJKJIO-UHFFFAOYSA-N |
| Mol Weight | 389.75 g/mol |
| Molecular Formula | C16H27Cl3O4 |
| Exact Mass | 388.097492 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H3S8GIbtxGj |
|---|---|
| Name | Methyl, ethyl 2,2,4-trichlorotridecandioate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 388.097492445 u |
| Formula | C16H27Cl3O4 |
| InChI | InChI=1S/C16H27Cl3O4/c1-3-23-15(21)16(18,19)12-13(17)10-8-6-4-5-7-9-11-14(20)22-2/h13H,3-12H2,1-2H3 |
| InChIKey | NCWMRQBXAJKJIO-UHFFFAOYSA-N |
| Molecular Weight | 389.747 g/mol |
| SMILES | C(CC(Cl)CCCCCCCCC(=O)OC)(C(=O)OCC)(Cl)Cl |