SpectraBase Compound ID | I7HDkNAAQ9D |
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InChI | InChI=1S/C18H34O4/c1-5-7-11-16(9-6-2)22-18(20)13-12-17(19)21-14-8-10-15(3)4/h15-16H,5-14H2,1-4H3 |
InChIKey | AZKGDDQWTACSEH-UHFFFAOYSA-N |
Mol Weight | 314.5 g/mol |
Molecular Formula | C18H34O4 |
Exact Mass | 314.24571 g/mol |
SpectraBase Spectrum ID | 5tPBVvzu5zZ |
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Name | Succinic acid, isohexyl 4-octyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 314.245709571 u |
Formula | C18H34O4 |
InChI | InChI=1S/C18H34O4/c1-5-7-11-16(9-6-2)22-18(20)13-12-17(19)21-14-8-10-15(3)4/h15-16H,5-14H2,1-4H3 |
InChIKey | AZKGDDQWTACSEH-UHFFFAOYSA-N |
SMILES | C(CC(OC(=O)CCC(OCCCC(C)C)=O)CCCC)C |