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L-Valine, N-neopentyloxycarbonyl-, tetradecyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-neopentyloxycarbonyl-, tetradecyl ester
SpectraBase Compound ID BPysb8L6jTT
InChI InChI=1S/C25H49NO4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-29-23(27)22(21(2)3)26-24(28)30-20-25(4,5)6/h21-22H,7-20H2,1-6H3,(H,26,28)
InChIKey LGTXSQPNISAKSY-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 JlC2DXSp9ay
Name L-Valine, N-neopentyloxycarbonyl-, tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 427.366159058 u
Formula C25H49NO4
InChI InChI=1S/C25H49NO4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-29-23(27)22(21(2)3)26-24(28)30-20-25(4,5)6/h21-22H,7-20H2,1-6H3,(H,26,28)
InChIKey LGTXSQPNISAKSY-UHFFFAOYSA-N
Molecular Weight 427.670 g/mol
SMILES C(CCCCCCCOC(C(NC(OCC(C)(C)C)=O)C(C)C)=O)CCCCCC