| SpectraBase Compound ID | IYAyuVkHAOR |
|---|---|
| InChI | InChI=1S/C21H40O5/c1-5-6-7-8-12-19(13-10-16-24-4)26-21(23)15-14-20(22)25-17-9-11-18(2)3/h18-19H,5-17H2,1-4H3 |
| InChIKey | NZYNFTUUAVQZTF-UHFFFAOYSA-N |
| Mol Weight | 372.5 g/mol |
| Molecular Formula | C21H40O5 |
| Exact Mass | 372.287574 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Y4GY9mkNhv |
|---|---|
| Name | Succinic acid, isohexyl 1-methoxydec-4-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 372.287574383 u |
| Formula | C21H40O5 |
| InChI | InChI=1S/C21H40O5/c1-5-6-7-8-12-19(13-10-16-24-4)26-21(23)15-14-20(22)25-17-9-11-18(2)3/h18-19H,5-17H2,1-4H3 |
| InChIKey | NZYNFTUUAVQZTF-UHFFFAOYSA-N |
| Molecular Weight | 372.546 g/mol |
| SMILES | C(OC(CCCCCC)CCCOC)(CCC(OCCCC(C)C)=O)=O |