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L-Isoleucyl-L-alanine, N-butoxycarbonyl-, 2,2,3,3,4,4,4-heptafluorobutyl ester

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L-Isoleucyl-L-alanine, N-butoxycarbonyl-, 2,2,3,3,4,4,4-heptafluorobutyl ester
SpectraBase Compound ID 8JbBCrkXjiW
InChI InChI=1S/C18H27F7N2O5/c1-5-7-8-31-15(30)27-12(10(3)6-2)13(28)26-11(4)14(29)32-9-16(19,20)17(21,22)18(23,24)25/h10-12H,5-9H2,1-4H3,(H,26,28)(H,27,30)
InChIKey AVTYSBBANSBBLN-UHFFFAOYSA-N
Mol Weight 484.41 g/mol
Molecular Formula C18H27F7N2O5
Exact Mass 484.180819 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CoNAGRpOoDC
Name L-Isoleucyl-L-alanine, N-butoxycarbonyl-, 2,2,3,3,4,4,4-heptafluorobutyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 484.180819113 u
Formula C18H27F7N2O5
InChI InChI=1S/C18H27F7N2O5/c1-5-7-8-31-15(30)27-12(10(3)6-2)13(28)26-11(4)14(29)32-9-16(19,20)17(21,22)18(23,24)25/h10-12H,5-9H2,1-4H3,(H,26,28)(H,27,30)
InChIKey AVTYSBBANSBBLN-UHFFFAOYSA-N
Molecular Weight 484.412 g/mol
SMILES C(C(C(COC(C(C)NC(C(C(C)CC)NC(=O)OCCCC)=O)=O)(F)F)(F)F)(F)(F)F