| SpectraBase Compound ID | LHcnsMdAgnm |
|---|---|
| InChI | InChI=1S/C18H32O4/c1-4-5-6-9-14-21-17(19)12-7-8-13-18(20)22-15-10-11-16(2)3/h5-6,16H,4,7-15H2,1-3H3/b6-5+ |
| InChIKey | MNHKUIFPPUKJDE-AATRIKPKSA-N |
| Mol Weight | 312.5 g/mol |
| Molecular Formula | C18H32O4 |
| Exact Mass | 312.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G8E6qkhperl |
|---|---|
| Name | Adipic acid, isohexyl trans-hex-3-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.230059506 u |
| Formula | C18H32O4 |
| InChI | InChI=1S/C18H32O4/c1-4-5-6-9-14-21-17(19)12-7-8-13-18(20)22-15-10-11-16(2)3/h5-6,16H,4,7-15H2,1-3H3/b6-5+ |
| InChIKey | MNHKUIFPPUKJDE-AATRIKPKSA-N |
| Molecular Weight | 312.450 g/mol |
| SMILES | C(CCCC(OCC\C=C\CC)=O)C(OCCCC(C)C)=O |