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D-Allylglycine, N-benzyloxycarbonyl-, pentyl ester

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D-Allylglycine, N-benzyloxycarbonyl-, pentyl ester
SpectraBase Compound ID FpWUXZ288q1
InChI InChI=1S/C18H25NO4/c1-3-5-9-13-22-17(20)16(10-4-2)19-18(21)23-14-15-11-7-6-8-12-15/h4,6-8,11-12,16H,2-3,5,9-10,13-14H2,1H3,(H,19,21)
InChIKey CGOUWHVIFORHBW-UHFFFAOYSA-N
Mol Weight 319.4 g/mol
Molecular Formula C18H25NO4
Exact Mass 319.178358 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cmbha1SB4Bm
Name D-Allylglycine, N-benzyloxycarbonyl-, pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 319.178358285 u
Formula C18H25NO4
InChI InChI=1S/C18H25NO4/c1-3-5-9-13-22-17(20)16(10-4-2)19-18(21)23-14-15-11-7-6-8-12-15/h4,6-8,11-12,16H,2-3,5,9-10,13-14H2,1H3,(H,19,21)
InChIKey CGOUWHVIFORHBW-UHFFFAOYSA-N
Molecular Weight 319.401 g/mol
SMILES C(NC(OCC1=CC=CC=C1)=O)(C(=O)OCCCCC)CC=C