| SpectraBase Compound ID | 63EXNQxROWY |
|---|---|
| InChI | InChI=1S/C17H30O4/c1-5-12-20-16(18)9-10-17(19)21-13-11-15(4)8-6-7-14(2)3/h7,15H,5-6,8-13H2,1-4H3 |
| InChIKey | BLAINOUTIYVOOO-UHFFFAOYSA-N |
| Mol Weight | 298.42 g/mol |
| Molecular Formula | C17H30O4 |
| Exact Mass | 298.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ECIH3jMPqpF |
|---|---|
| Name | Succinic acid, 3,7-dimethyloct-6-en-1-yl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.214409442 u |
| Formula | C17H30O4 |
| InChI | InChI=1S/C17H30O4/c1-5-12-20-16(18)9-10-17(19)21-13-11-15(4)8-6-7-14(2)3/h7,15H,5-6,8-13H2,1-4H3 |
| InChIKey | BLAINOUTIYVOOO-UHFFFAOYSA-N |
| SMILES | CC(C)=CCCC(C)CCOC(CCC(OCCC)=O)=O |