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Trans-4-(aminomethyl)cyclohexanecarboxylic acid, N-heptafluorobutyryl, methyl ester

View entire compound with spectra: 1 NMR

Trans-4-(aminomethyl)cyclohexanecarboxylic acid, N-heptafluorobutyryl, methyl ester
SpectraBase Compound ID 3FiSrJ9b8Au
InChI InChI=1S/C13H16F7NO3/c1-24-9(22)8-4-2-7(3-5-8)6-21-10(23)11(14,15)12(16,17)13(18,19)20/h7-8H,2-6H2,1H3,(H,21,23)
InChIKey JULRJPGVFVFSCU-UHFFFAOYSA-N
Mol Weight 367.26 g/mol
Molecular Formula C13H16F7NO3
Exact Mass 367.101841 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3WSdroDgKKq
Name Trans-4-(aminomethyl)cyclohexanecarboxylic acid, N-heptafluorobutyryl, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 367.101840517 u
Formula C13H16F7NO3
InChI InChI=1S/C13H16F7NO3/c1-24-9(22)8-4-2-7(3-5-8)6-21-10(23)11(14,15)12(16,17)13(18,19)20/h7-8H,2-6H2,1H3,(H,21,23)
InChIKey JULRJPGVFVFSCU-UHFFFAOYSA-N
Molecular Weight 367.264 g/mol
SMILES C1(CCC(CC1)CNC(=O)C(C(C(F)(F)F)(F)F)(F)F)C(=O)OC