N-TERT-BUTYL-ALPHA-PHENYLNITRONE(3376-24-7) 13C NMR
Product NameN-TERT-BUTYL-ALPHA-PHENYLNITRONE
CAS3376-24-7
Molecular FormulaC11H15NO
Molecular Weight177.24
InChIInChI=1S/C11H15NO/c1-11(2,3)12(13)9-10-7-5-4-6-8-10/h4-9H,1-3H3
InChIKey IYSYLWYGCWTJSG-UHFFFAOYSA-N
SmilesCC(C)([N+]([O-])=CC1=CC=CC=C1)C
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MassMS-NW-7176 N-benzylidene-tert-butylamine N-oxide C11H15NO (Mass of molecular ion: 177)
Source Temperature: 100 °C Sample Temperature: 80 °C Direct, 75 eV
27.0 2.3 28.0 1.0 29.0 15.3 39.0 5.1 41.0 20.9 42.0 1.1 50.0 1.1 51.0 2.8 55.0 1.5 56.0 1.7 57.0 100.0 58.0 4.5 63.0 1.9 65.0 3.7 66.0 1.5 77.0 4.5 78.0 3.5 89.0 3.1 90.0 1.6 92.0 1.0 93.0 1.1 94.0 1.8 104.0 2.4 120.0 3.7 121.0 12.2 122.0 2.2 177.0 16.0 178.0 2.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C11 H15 N O 0.045 g : 0.5 ml CDCl3 N-benzylidene-tert-butylamine N-oxide 
Assign. Shift(ppm)
A 8.284 B 7.538 C 7.46 to 7.340 D 1.606
Hz ppm Int.747.00 8.341 24 743.31 8.300 29 742.25 8.288 22 740.31 8.267 25 739.63 8.259 28 737.63 8.237 29 737.13 8.231 29 675.13 7.539 64 665.56 7.432 52 664.88 7.424 40 663.31 7.407 30 661.63 7.388 59 658.75 7.356 78 143.88 1.607 1000 141.94 1.585 62
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
ADDUCTS WITH PHENYLAZOTRIPHENYLMETHANE
ADDUCTS WITH DI-TERT-BUTYLPEROXALATE
ADDUCTS WITH BENZOYL PEROXIDE
