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tert-butyl 2-(2-nitrophenyl)acetate
SpectraBase Compound ID HE5umqsj8e3
InChI InChI=1S/C12H15NO4/c1-12(2,3)17-11(14)8-9-6-4-5-7-10(9)13(15)16/h4-7H,8H2,1-3H3
InChIKey ONTPUCLBHILDKY-UHFFFAOYSA-N
Mol Weight 237.25 g/mol
Molecular Formula C12H15NO4
Exact Mass 237.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AqkmJXLQHMn
Name tert-butyl 2-(2-nitrophenyl)acetate
Appearance Crystalline yellow solid
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Exact Mass 237.100107963 u
Formula C12H15NO4
InChI InChI=1S/C12H15NO4/c1-12(2,3)17-11(14)8-9-6-4-5-7-10(9)13(15)16/h4-7H,8H2,1-3H3
InChIKey ONTPUCLBHILDKY-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201704260
Molecular Weight 237.255 g/mol
Quality 130
Reported Formula C12H15NO4
SMILES C1=CC(=C(C=C1)[N+]([O-])=O)CC(OC(C)(C)C)=O
SPLASH splash10-0a4i-9500000000-1cbfee2586149d643bd3
Source of Spectrum ACI-56-SM11-s10 (DOI: 10.1002/anie.201704260)
Thin-Layer Chromatography 0.31 (petroleum ether/ethyl acetate, 10:1)
Wiley ID 1896316