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L-Valyl-L-valine, N-pentafluoropropionyl-, heptadecyl ester
SpectraBase Compound ID 52MtpKB2qNv
InChI InChI=1S/C30H53F5N2O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-41-27(39)25(23(4)5)36-26(38)24(22(2)3)37-28(40)29(31,32)30(33,34)35/h22-25H,6-21H2,1-5H3,(H,36,38)(H,37,40)
InChIKey DFKXFYZNERICFH-UHFFFAOYSA-N
Mol Weight 600.8 g/mol
Molecular Formula C30H53F5N2O4
Exact Mass 600.392549 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BzuXkUzwuxb
Name L-Valyl-L-valine, N-pentafluoropropionyl-, heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 600.392549006 u
Formula C30H53F5N2O4
InChI InChI=1S/C30H53F5N2O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-41-27(39)25(23(4)5)36-26(38)24(22(2)3)37-28(40)29(31,32)30(33,34)35/h22-25H,6-21H2,1-5H3,(H,36,38)(H,37,40)
InChIKey DFKXFYZNERICFH-UHFFFAOYSA-N
Molecular Weight 600.756 g/mol
SMILES CCCCCCCCCCCCCCCCCOC(C(NC(C(NC(C(C(F)(F)F)(F)F)=O)C(C)C)=O)C(C)C)=O