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Tert-leucine, N-propoxycarbonyl-, pentadecyl ester

View entire compound with spectra: 1 NMR

Tert-leucine, N-propoxycarbonyl-, pentadecyl ester
SpectraBase Compound ID GOf52FoKnnb
InChI InChI=1S/C25H49NO4/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-21-29-23(27)22(25(3,4)5)26-24(28)30-20-7-2/h22H,6-21H2,1-5H3,(H,26,28)
InChIKey KLZZCMDCMJIZJH-UHFFFAOYSA-N
Mol Weight 427.7 g/mol
Molecular Formula C25H49NO4
Exact Mass 427.366159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F7rMAVl5LPG
Name Tert-leucine, N-propoxycarbonyl-, pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 427.366159058 u
Formula C25H49NO4
InChI InChI=1S/C25H49NO4/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-21-29-23(27)22(25(3,4)5)26-24(28)30-20-7-2/h22H,6-21H2,1-5H3,(H,26,28)
InChIKey KLZZCMDCMJIZJH-UHFFFAOYSA-N
Molecular Weight 427.670 g/mol
SMILES C(CCOC(C(NC(OCCC)=O)C(C)(C)C)=O)CCCCCCCCCCCC