SpectraBase Compound ID | A360Jokreuv |
---|---|
InChI | InChI=1S/C17H28O4/c1-4-11-20-16(18)14-9-5-6-10-15(14)17(19)21-12-7-8-13(2)3/h4,13-15H,1,5-12H2,2-3H3 |
InChIKey | LWLZLLLXKPWEIQ-UHFFFAOYSA-N |
Mol Weight | 296.41 g/mol |
Molecular Formula | C17H28O4 |
Exact Mass | 296.198759 g/mol |
SpectraBase Spectrum ID | C4j2IC7xskM |
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Name | 1,2-Cyclohexanedicarboxylic acid, allyl isohexyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 296.198759378 u |
Formula | C17H28O4 |
InChI | InChI=1S/C17H28O4/c1-4-11-20-16(18)14-9-5-6-10-15(14)17(19)21-12-7-8-13(2)3/h4,13-15H,1,5-12H2,2-3H3 |
InChIKey | LWLZLLLXKPWEIQ-UHFFFAOYSA-N |
Molecular Weight | 296.407 g/mol |
SMILES | C1(CCCCC1C(OCCCC(C)C)=O)C(=O)OCC=C |