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L-Leucyl-L-leucine, N-heptafluorobutyryl-, isohexyl ester

View entire compound with spectra: 1 NMR

L-Leucyl-L-leucine, N-heptafluorobutyryl-, isohexyl ester
SpectraBase Compound ID IfNAwA9DJ6p
InChI InChI=1S/C22H35F7N2O4/c1-12(2)8-7-9-35-18(33)16(11-14(5)6)30-17(32)15(10-13(3)4)31-19(34)20(23,24)21(25,26)22(27,28)29/h12-16H,7-11H2,1-6H3,(H,30,32)(H,31,34)
InChIKey YHWXRLJVQCAMEU-UHFFFAOYSA-N
Mol Weight 524.5 g/mol
Molecular Formula C22H35F7N2O4
Exact Mass 524.248505 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bp9rVvz7KoS
Name L-Leucyl-L-leucine, N-heptafluorobutyryl-, isohexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 524.248504752 u
Formula C22H35F7N2O4
InChI InChI=1S/C22H35F7N2O4/c1-12(2)8-7-9-35-18(33)16(11-14(5)6)30-17(32)15(10-13(3)4)31-19(34)20(23,24)21(25,26)22(27,28)29/h12-16H,7-11H2,1-6H3,(H,30,32)(H,31,34)
InChIKey YHWXRLJVQCAMEU-UHFFFAOYSA-N
Molecular Weight 524.521 g/mol
SMILES C(C(C(C(NC(CC(C)C)C(=O)NC(CC(C)C)C(OCCCC(C)C)=O)=O)(F)F)(F)F)(F)(F)F