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2-HEXYL-4'-NITROBENZOATE

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2-HEXYL-4'-NITROBENZOATE
SpectraBase Compound ID AiORIR85cMh
InChI InChI=1S/C13H17NO4/c1-3-4-5-10(2)18-13(15)11-6-8-12(9-7-11)14(16)17/h6-10H,3-5H2,1-2H3/t10-/m0/s1
InChIKey IYZGXPIQFUFSPL-JTQLQIEISA-N
Mol Weight 251.28 g/mol
Molecular Formula C13H17NO4
Exact Mass 251.115758 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CntvPSwuZEz
Name 2-HEXYL-4'-NITROBENZOATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H17NO4
InChI InChI=1S/C13H17NO4/c1-3-4-5-10(2)18-13(15)11-6-8-12(9-7-11)14(16)17/h6-10H,3-5H2,1-2H3/t10-/m0/s1
InChIKey IYZGXPIQFUFSPL-JTQLQIEISA-N
Literature Reference Author J.MCNULTY,A.CAPRETTA,V.LARITCHEV,J.DYCK,A.J.ROBERTSON
Literature Reference Citation J.ORG.CHEM.,68,1597(2003)
Literature Reference DOI 10.1021/jo026639y
Molecular Weight 251.282 g/mol
Solvent CDCl3
Source File Reference UWVN25171