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L-Methionyl-L-methionine, N-pentafluoropropionyl-, isohexyl ester

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L-Methionyl-L-methionine, N-pentafluoropropionyl-, isohexyl ester
SpectraBase Compound ID CUkmlZPlSQk
InChI InChI=1S/C19H31F5N2O4S2/c1-12(2)6-5-9-30-16(28)14(8-11-32-4)25-15(27)13(7-10-31-3)26-17(29)18(20,21)19(22,23)24/h12-14H,5-11H2,1-4H3,(H,25,27)(H,26,29)
InChIKey QJUSGMUJNDXBAS-UHFFFAOYSA-N
Mol Weight 510.58 g/mol
Molecular Formula C19H31F5N2O4S2
Exact Mass 510.164541 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GAjEr9yO4nL
Name L-Methionyl-L-methionine, N-pentafluoropropionyl-, isohexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 510.164540645 u
Formula C19H31F5N2O4S2
InChI InChI=1S/C19H31F5N2O4S2/c1-12(2)6-5-9-30-16(28)14(8-11-32-4)25-15(27)13(7-10-31-3)26-17(29)18(20,21)19(22,23)24/h12-14H,5-11H2,1-4H3,(H,25,27)(H,26,29)
InChIKey QJUSGMUJNDXBAS-UHFFFAOYSA-N
Molecular Weight 510.579 g/mol
SMILES CC(C)CCCOC(C(NC(C(NC(C(C(F)(F)F)(F)F)=O)CCSC)=O)CCSC)=O