| SpectraBase Compound ID | EBLxJtsmfdF |
|---|---|
| InChI | InChI=1S/C15H28O4/c1-6-12(4)18-14(16)9-8-11(3)10-15(17)19-13(5)7-2/h11-13H,6-10H2,1-5H3 |
| InChIKey | BVBKJNVGNBWNSQ-UHFFFAOYSA-N |
| Mol Weight | 272.38 g/mol |
| Molecular Formula | C15H28O4 |
| Exact Mass | 272.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KH1yhEpAXfO |
|---|---|
| Name | Hexanedioic acid, 3-methyl-, bis(1-methylpropyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.198759378 u |
| Formula | C15H28O4 |
| InChI | InChI=1S/C15H28O4/c1-6-12(4)18-14(16)9-8-11(3)10-15(17)19-13(5)7-2/h11-13H,6-10H2,1-5H3 |
| InChIKey | BVBKJNVGNBWNSQ-UHFFFAOYSA-N |
| SMILES | C(C(CCC(OC(CC)C)=O)C)C(OC(CC)C)=O |