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Homoglutamic acid, N-heptafluorobutyryl-, dipropyl ester

View entire compound with spectra: 1 NMR

Homoglutamic acid, N-heptafluorobutyryl-, dipropyl ester
SpectraBase Compound ID EtYJ9KP05HG
InChI InChI=1S/C16H22F7NO5/c1-3-8-28-11(25)7-5-6-10(12(26)29-9-4-2)24-13(27)14(17,18)15(19,20)16(21,22)23/h10H,3-9H2,1-2H3,(H,24,27)
InChIKey DVVBDTBUXUPXOC-UHFFFAOYSA-N
Mol Weight 441.34 g/mol
Molecular Formula C16H22F7NO5
Exact Mass 441.13862 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3vxkhyvD7gX
Name Homoglutamic acid, N-heptafluorobutyryl-, dipropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 441.138619948 u
Formula C16H22F7NO5
InChI InChI=1S/C16H22F7NO5/c1-3-8-28-11(25)7-5-6-10(12(26)29-9-4-2)24-13(27)14(17,18)15(19,20)16(21,22)23/h10H,3-9H2,1-2H3,(H,24,27)
InChIKey DVVBDTBUXUPXOC-UHFFFAOYSA-N
Molecular Weight 441.343 g/mol
SMILES CCCOC(=O)CCCC(NC(=O)C(C(C(F)(F)F)(F)F)(F)F)C(=O)OCCC