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4-(tert-butoxymethyl)-2-nitrotoluene
SpectraBase Compound ID 62SuyiP2tOQ
InChI InChI=1S/C12H17NO3/c1-9-5-6-10(7-11(9)13(14)15)8-16-12(2,3)4/h5-7H,8H2,1-4H3
InChIKey IRMUBGANNMNESZ-UHFFFAOYSA-N
Mol Weight 223.27 g/mol
Molecular Formula C12H17NO3
Exact Mass 223.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5OqOTY9Eic6
Name 4-(tert-butoxymethyl)-2-nitrotoluene
Appearance Yellow oil
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Formula C12H17NO3
InChI InChI=1S/C12H17NO3/c1-9-5-6-10(7-11(9)13(14)15)8-16-12(2,3)4/h5-7H,8H2,1-4H3
InChIKey IRMUBGANNMNESZ-UHFFFAOYSA-N
Instrument Name JEOL AccuTOF-GCv 4G
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.15.68
Molecular Weight 223.272 g/mol
Reported Formula C12H17NO3
SMILES c1cc(c(cc1COC(C)(C)C)[N+]([O-])=O)C
SPLASH splash10-0udi-0910000000-79bd48f8fcbf493eccb6
Source of Spectrum BJO-15-SM4-9a
Thin-Layer Chromatography Rf = 0.60 (cyclohexane/ethyl acetate, 1:1)
Wiley ID 1841044