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

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L-Leucyl-L-leucine, N-heptafluorobutyryl-, hexyl ester
SpectraBase Compound ID 3Sd3JnqQPsf
InChI InChI=1S/C22H35F7N2O4/c1-6-7-8-9-10-35-18(33)16(12-14(4)5)30-17(32)15(11-13(2)3)31-19(34)20(23,24)21(25,26)22(27,28)29/h13-16H,6-12H2,1-5H3,(H,30,32)(H,31,34)
InChIKey IQTSIQCIFKTMEJ-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 LNoCFnCn5KP
Name L-Leucyl-L-leucine, N-heptafluorobutyryl-, hexyl 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/c1-6-7-8-9-10-35-18(33)16(12-14(4)5)30-17(32)15(11-13(2)3)31-19(34)20(23,24)21(25,26)22(27,28)29/h13-16H,6-12H2,1-5H3,(H,30,32)(H,31,34)
InChIKey IQTSIQCIFKTMEJ-UHFFFAOYSA-N
Molecular Weight 524.521 g/mol
SMILES CC(C)CC(NC(C(C(C(F)(F)F)(F)F)(F)F)=O)C(=O)NC(CC(C)C)C(OCCCCCC)=O