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Succinic acid, 1,1,1-trifluoroprop-2-yl 4-methylpent-2-yl ester
SpectraBase Compound ID GxrmygkucuA
InChI InChI=1S/C13H21F3O4/c1-8(2)7-9(3)19-11(17)5-6-12(18)20-10(4)13(14,15)16/h8-10H,5-7H2,1-4H3
InChIKey AXGRZCOFXAXNBT-UHFFFAOYSA-N
Mol Weight 298.3 g/mol
Molecular Formula C13H21F3O4
Exact Mass 298.139194 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3hT2X8HkNAw
Name Succinic acid, 1,1,1-trifluoroprop-2-yl 4-methylpent-2-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 298.139193641 u
Formula C13H21F3O4
InChI InChI=1S/C13H21F3O4/c1-8(2)7-9(3)19-11(17)5-6-12(18)20-10(4)13(14,15)16/h8-10H,5-7H2,1-4H3
InChIKey AXGRZCOFXAXNBT-UHFFFAOYSA-N
Molecular Weight 298.302 g/mol
SMILES C(CC(OC(C)C(F)(F)F)=O)C(OC(C)CC(C)C)=O