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Hexanoic acid, 5-[(4-nitrobenzoyl)oxy]-, methyl ester, (R)-
SpectraBase Compound ID 43R5O9IiwZh
InChI InChI=1S/C14H17NO6/c1-10(4-3-5-13(16)20-2)21-14(17)11-6-8-12(9-7-11)15(18)19/h6-10H,3-5H2,1-2H3/t10-/m1/s1
InChIKey RJWDTUCVZKLZHV-SNVBAGLBSA-N
Mol Weight 295.29 g/mol
Molecular Formula C14H17NO6
Exact Mass 295.105587 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2KRmjLw61Os
Name Hexanoic acid, 5-[(4-nitrobenzoyl)oxy]-, methyl ester, (R)-
Comments Computed using HOSE algorithm
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Exact Mass 295.105587265 u
Formula C14H17NO6
InChI InChI=1S/C14H17NO6/c1-10(4-3-5-13(16)20-2)21-14(17)11-6-8-12(9-7-11)15(18)19/h6-10H,3-5H2,1-2H3/t10-/m1/s1
InChIKey RJWDTUCVZKLZHV-SNVBAGLBSA-N
Molecular Weight 295.291 g/mol
SMILES C=1(N(=O)=O)C=CC(C(O[C@@](CCCC(=O)OC)(C)[H])=O)=CC1