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Hexanoic acid, 3,5,5-trimethyl-, 4-methyl-2-pentyl ester
SpectraBase Compound ID 2PoUwPv0Szh
InChI InChI=1S/C15H30O2/c1-11(2)8-13(4)17-14(16)9-12(3)10-15(5,6)7/h11-13H,8-10H2,1-7H3
InChIKey LLGLURCCPYKGIJ-UHFFFAOYSA-N
Mol Weight 242.4 g/mol
Molecular Formula C15H30O2
Exact Mass 242.22458 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID tfgPJi9mfs
Name Hexanoic acid, 3,5,5-trimethyl-, 4-methyl-2-pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 242.224580204 u
Formula C15H30O2
InChI InChI=1S/C15H30O2/c1-11(2)8-13(4)17-14(16)9-12(3)10-15(5,6)7/h11-13H,8-10H2,1-7H3
InChIKey LLGLURCCPYKGIJ-UHFFFAOYSA-N
Molecular Weight 242.403 g/mol
SMILES C(CC(OC(CC(C)C)C)=O)(CC(C)(C)C)C