| SpectraBase Compound ID | IiLGYYGSXZd |
|---|---|
| InChI | InChI=1S/C18H32O4/c1-5-6-13-21-17(19)10-11-18(20)22-14-12-16(4)9-7-8-15(2)3/h8,16H,5-7,9-14H2,1-4H3 |
| InChIKey | ZNZSUXBQKXECDA-UHFFFAOYSA-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 | DLxguzwMb4i |
|---|---|
| Name | Succinic acid, butyl 3,7-dimethyloct-6-en-1-yl 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/c1-5-6-13-21-17(19)10-11-18(20)22-14-12-16(4)9-7-8-15(2)3/h8,16H,5-7,9-14H2,1-4H3 |
| InChIKey | ZNZSUXBQKXECDA-UHFFFAOYSA-N |
| Molecular Weight | 312.450 g/mol |
| SMILES | CC(C)=CCCC(C)CCOC(CCC(OCCCC)=O)=O |