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L-Isoleucine, N-heptafluorobutyryl-, heptadecyl ester

View entire compound with spectra: 1 NMR

L-Isoleucine, N-heptafluorobutyryl-, heptadecyl ester
SpectraBase Compound ID 5HbldqxL9CV
InChI InChI=1S/C27H46F7NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-38-23(36)22(21(3)5-2)35-24(37)25(28,29)26(30,31)27(32,33)34/h21-22H,4-20H2,1-3H3,(H,35,37)
InChIKey PEIJALRGLVZUNZ-UHFFFAOYSA-N
Mol Weight 565.7 g/mol
Molecular Formula C27H46F7NO3
Exact Mass 565.336591 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 84ByfyGokJZ
Name L-Isoleucine, N-heptafluorobutyryl-, heptadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 565.336591483 u
Formula C27H46F7NO3
InChI InChI=1S/C27H46F7NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-38-23(36)22(21(3)5-2)35-24(37)25(28,29)26(30,31)27(32,33)34/h21-22H,4-20H2,1-3H3,(H,35,37)
InChIKey PEIJALRGLVZUNZ-UHFFFAOYSA-N
Molecular Weight 565.658 g/mol
SMILES C(CCCCCCCCCOC(C(NC(C(C(C(F)(F)F)(F)F)(F)F)=O)C(CC)C)=O)CCCCCCC