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Glutaric acid, 2-norbornyl 1,1,1-trifluoroprop-2-yl ester
SpectraBase Compound ID EZBtCRCapXr
InChI InChI=1S/C15H21F3O4/c1-9(15(16,17)18)21-13(19)3-2-4-14(20)22-12-8-10-5-6-11(12)7-10/h9-12H,2-8H2,1H3/t9?,10-,11+,12-/m0/s1
InChIKey SSDNVZHBAHOKRY-YATPEIPISA-N
Mol Weight 322.32 g/mol
Molecular Formula C15H21F3O4
Exact Mass 322.139194 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K8y37Sp0E95
Name Glutaric acid, 2-norbornyl 1,1,1-trifluoroprop-2-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 322.139193641 u
Formula C15H21F3O4
InChI InChI=1S/C15H21F3O4/c1-9(15(16,17)18)21-13(19)3-2-4-14(20)22-12-8-10-5-6-11(12)7-10/h9-12H,2-8H2,1H3/t9?,10-,11+,12-/m0/s1
InChIKey SSDNVZHBAHOKRY-YATPEIPISA-N
Molecular Weight 322.324 g/mol
SMILES C(CCC(OC(C)C(F)(F)F)=O)C(O[C@]1(C[C@]2(CC[C@@]1(C2)[H])[H])[H])=O