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L-Isoleucylglycine, N-methoxycarbonyl-, 2,2,2-trifluoroethyl ester

View entire compound with spectra: 1 NMR

L-Isoleucylglycine, N-methoxycarbonyl-, 2,2,2-trifluoroethyl ester
SpectraBase Compound ID Hbmookxvr6m
InChI InChI=1S/C12H19F3N2O5/c1-4-7(2)9(17-11(20)21-3)10(19)16-5-8(18)22-6-12(13,14)15/h7,9H,4-6H2,1-3H3,(H,16,19)(H,17,20)
InChIKey ILKIIGVRXHODOS-UHFFFAOYSA-N
Mol Weight 328.29 g/mol
Molecular Formula C12H19F3N2O5
Exact Mass 328.124606 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 16w3ncgiVuT
Name L-Isoleucylglycine, N-methoxycarbonyl-, 2,2,2-trifluoroethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 328.124606204 u
Formula C12H19F3N2O5
InChI InChI=1S/C12H19F3N2O5/c1-4-7(2)9(17-11(20)21-3)10(19)16-5-8(18)22-6-12(13,14)15/h7,9H,4-6H2,1-3H3,(H,16,19)(H,17,20)
InChIKey ILKIIGVRXHODOS-UHFFFAOYSA-N
Molecular Weight 328.288 g/mol
SMILES COC(=O)NC(C(NCC(OCC(F)(F)F)=O)=O)C(CC)C