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val-val-val, N,N',N''-Trimethyl-N-ethoxycarbonyl-, methyl ester (isomer 1)

View entire compound with spectra: 1 NMR

val-val-val, N,N',N''-Trimethyl-N-ethoxycarbonyl-, methyl ester (isomer 1)
SpectraBase Compound ID KjwfJTkXG2U
InChI InChI=1S/C22H41N3O6/c1-12-31-22(29)25(10)17(14(4)5)20(27)23(8)16(13(2)3)19(26)24(9)18(15(6)7)21(28)30-11/h13-18H,12H2,1-11H3
InChIKey UECORCQIJMQCCO-UHFFFAOYSA-N
Mol Weight 443.6 g/mol
Molecular Formula C22H41N3O6
Exact Mass 443.299536 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 23hlfRmHO5z
Name val-val-val, N,N',N''-Trimethyl-N-ethoxycarbonyl-, methyl ester (isomer 1)
Comments Computed using HOSE algorithm
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Exact Mass 443.299536046 u
Formula C22H41N3O6
InChI InChI=1S/C22H41N3O6/c1-12-31-22(29)25(10)17(14(4)5)20(27)23(8)16(13(2)3)19(26)24(9)18(15(6)7)21(28)30-11/h13-18H,12H2,1-11H3
InChIKey UECORCQIJMQCCO-UHFFFAOYSA-N
Molecular Weight 443.585 g/mol
SMILES CC(C(C(N(C(C(C)C)C(N(C(C(C)C)C(OC)=O)C)=O)C)=O)N(C)C(OCC)=O)C