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Methyl 3-nitro-4-[[(1R)-1-phenylethyl]amino]benzoate
SpectraBase Compound ID 6NIbwiRhBmu
InChI InChI=1S/C16H16N2O4/c1-11(12-6-4-3-5-7-12)17-14-9-8-13(16(19)22-2)10-15(14)18(20)21/h3-11,17H,1-2H3/t11-/m1/s1
InChIKey CHTMMWWLIAJAQV-LLVKDONJSA-N
Mol Weight 300.31 g/mol
Molecular Formula C16H16N2O4
Exact Mass 300.111007 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2EOjNddZF2f
Name Methyl 3-nitro-4-[[(1R)-1-phenylethyl]amino]benzoate
Appearance Yellow solid
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Formula C16H16N2O4
InChI InChI=1S/C16H16N2O4/c1-11(12-6-4-3-5-7-12)17-14-9-8-13(16(19)22-2)10-15(14)18(20)21/h3-11,17H,1-2H3/t11-/m1/s1
InChIKey CHTMMWWLIAJAQV-LLVKDONJSA-N
Instrument Name Varian GCMS Saturn 2100 T
Ionization Type EI
Literature Reference DOI 10.1002/anie.201812068
Molecular Weight 300.314 g/mol
Reported Formula C16H17N2O4
SMILES N(c1c(cc(cc1)C(=O)OC)[N+]([O-])=O)[C@@](c1ccccc1)(C)[H]
SPLASH splash10-0a4r-3950000000-fe0e3ad0ba3262a9aa00
Source of Spectrum ACI-58-SM22-3fk
Wiley ID 1840451