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Valine, N-methyl-N-isobutoxycarbonyl-, hexadecyl ester

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Valine, N-methyl-N-isobutoxycarbonyl-, hexadecyl ester
SpectraBase Compound ID F0PNqpouvjd
InChI InChI=1S/C27H53NO4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31-26(29)25(24(4)5)28(6)27(30)32-22-23(2)3/h23-25H,7-22H2,1-6H3
InChIKey LNFZWUKZESSPSJ-UHFFFAOYSA-N
Mol Weight 455.7 g/mol
Molecular Formula C27H53NO4
Exact Mass 455.397459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Ploso5gRib
Name Valine, N-methyl-N-isobutoxycarbonyl-, hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 455.397459187 u
Formula C27H53NO4
InChI InChI=1S/C27H53NO4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31-26(29)25(24(4)5)28(6)27(30)32-22-23(2)3/h23-25H,7-22H2,1-6H3
InChIKey LNFZWUKZESSPSJ-UHFFFAOYSA-N
Molecular Weight 455.724 g/mol
SMILES CC(COC(N(C(C(OCCCCCCCCCCCCCCCC)=O)C(C)C)C)=O)C