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L-Norvaline, N-(but-3-en-1-yloxycarbonyl)-, heptyl ester
SpectraBase Compound ID 1UYjHVknYYF
InChI InChI=1S/C17H31NO4/c1-4-7-9-10-11-14-21-16(19)15(12-6-3)18-17(20)22-13-8-5-2/h5,15H,2,4,6-14H2,1,3H3,(H,18,20)/t15-/m0/s1
InChIKey QZAGQWXUEXGGHE-HNNXBMFYSA-N
Mol Weight 313.44 g/mol
Molecular Formula C17H31NO4
Exact Mass 313.225308 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GEvaqEE3tp3
Name L-Norvaline, N-(but-3-en-1-yloxycarbonyl)-, heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 313.225308478 u
Formula C17H31NO4
InChI InChI=1S/C17H31NO4/c1-4-7-9-10-11-14-21-16(19)15(12-6-3)18-17(20)22-13-8-5-2/h5,15H,2,4,6-14H2,1,3H3,(H,18,20)/t15-/m0/s1
InChIKey QZAGQWXUEXGGHE-HNNXBMFYSA-N
Molecular Weight 313.438 g/mol
SMILES CCC[C@@](C(OCCCCCCC)=O)(NC(=O)OCCC=C)[H]