| SpectraBase Compound ID | HefeLmtU8n0 |
|---|---|
| InChI | InChI=1S/C14H26O5/c1-10(2)13(18)14(3,4)9-19-12(17)8-6-5-7-11(15)16/h10,13,18H,5-9H2,1-4H3,(H,15,16) |
| InChIKey | GXIHNTARWRUAEG-UHFFFAOYSA-N |
| Mol Weight | 274.36 g/mol |
| Molecular Formula | C14H26O5 |
| Exact Mass | 274.178024 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CqZ8HYMKpmE |
|---|---|
| Name | 2,2,4-Trimethyl-1,3-pentanediol monoadipate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.178023932 u |
| Formula | C14H26O5 |
| InChI | InChI=1S/C14H26O5/c1-10(2)13(18)14(3,4)9-19-12(17)8-6-5-7-11(15)16/h10,13,18H,5-9H2,1-4H3,(H,15,16) |
| InChIKey | GXIHNTARWRUAEG-UHFFFAOYSA-N |
| Molecular Weight | 274.357 g/mol |
| SMILES | C(OC(CCCCC(=O)O)=O)C(C(C(C)C)O)(C)C |