![Hexane-1,6-dioic acid, di[3-methyl-2-butenyl]ester](/api/spectrum/6dglX2Oe3qV/structure.png?h=300&w=458 "Hexane-1,6-dioic acid, di[3-methyl-2-butenyl]ester")
| SpectraBase Compound ID | 1BpjIrXZ4Tm |
|---|---|
| InChI | InChI=1S/C16H26O4/c1-13(2)9-11-19-15(17)7-5-6-8-16(18)20-12-10-14(3)4/h9-10H,5-8,11-12H2,1-4H3 |
| InChIKey | QCRSZVFJWRCNQD-UHFFFAOYSA-N |
| Mol Weight | 282.38 g/mol |
| Molecular Formula | C16H26O4 |
| Exact Mass | 282.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6dglX2Oe3qV |
|---|---|
| Name | Hexane-1,6-dioic acid, di[3-methyl-2-butenyl]ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.183109313 u |
| Formula | C16H26O4 |
| InChI | InChI=1S/C16H26O4/c1-13(2)9-11-19-15(17)7-5-6-8-16(18)20-12-10-14(3)4/h9-10H,5-8,11-12H2,1-4H3 |
| InChIKey | QCRSZVFJWRCNQD-UHFFFAOYSA-N |
| SMILES | CC(=CCOC(CCCCC(OCC=C(C)C)=O)=O)C |