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L-Valine, N-benzyloxycarbonyl-, decyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-benzyloxycarbonyl-, decyl ester
SpectraBase Compound ID 69cMzQLDQNy
InChI InChI=1S/C23H37NO4/c1-4-5-6-7-8-9-10-14-17-27-22(25)21(19(2)3)24-23(26)28-18-20-15-12-11-13-16-20/h11-13,15-16,19,21H,4-10,14,17-18H2,1-3H3,(H,24,26)
InChIKey JHMGNASJWJICLM-UHFFFAOYSA-N
Mol Weight 391.6 g/mol
Molecular Formula C23H37NO4
Exact Mass 391.272259 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 57LwdPpX63Q
Name L-Valine, N-benzyloxycarbonyl-, decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 391.272258671 u
Formula C23H37NO4
InChI InChI=1S/C23H37NO4/c1-4-5-6-7-8-9-10-14-17-27-22(25)21(19(2)3)24-23(26)28-18-20-15-12-11-13-16-20/h11-13,15-16,19,21H,4-10,14,17-18H2,1-3H3,(H,24,26)
InChIKey JHMGNASJWJICLM-UHFFFAOYSA-N
Molecular Weight 391.552 g/mol
SMILES C(OCC1=CC=CC=C1)(NC(C(OCCCCCCCCCC)=O)C(C)C)=O