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Alanylalanine, N,N'-dimethyl-N'-isobutoxycarbonyl-, pentadecyl ester

View entire compound with spectra: 1 NMR

Alanylalanine, N,N'-dimethyl-N'-isobutoxycarbonyl-, pentadecyl ester
SpectraBase Compound ID Cw3A8KOYdIW
InChI InChI=1S/C28H54N2O5/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-34-27(32)25(5)29(6)26(31)24(4)30(7)28(33)35-22-23(2)3/h23-25H,8-22H2,1-7H3
InChIKey SSGBXMHJJOHHNO-UHFFFAOYSA-N
Mol Weight 498.7 g/mol
Molecular Formula C28H54N2O5
Exact Mass 498.403273 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EX4XR3WBr00
Name Alanylalanine, N,N'-dimethyl-N'-isobutoxycarbonyl-, pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 498.403272842 u
Formula C28H54N2O5
InChI InChI=1S/C28H54N2O5/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-34-27(32)25(5)29(6)26(31)24(4)30(7)28(33)35-22-23(2)3/h23-25H,8-22H2,1-7H3
InChIKey SSGBXMHJJOHHNO-UHFFFAOYSA-N
Molecular Weight 498.749 g/mol
SMILES CC(C)COC(N(C(C(N(C(C(OCCCCCCCCCCCCCCC)=O)C)C)=O)C)C)=O