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1,2-Cyclohexanedicarboxylic acid, allyl isohexyl ester
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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C4j2IC7xskM
Name 1,2-Cyclohexanedicarboxylic acid, allyl isohexyl ester
Comments Computed using HOSE algorithm
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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