BENZYL 4-NITROPHENYL CARBONATE(13795-24-9) 13C NMR
Product NameBENZYL 4-NITROPHENYL CARBONATE
CAS13795-24-9
Molecular FormulaC14H11NO5
Molecular Weight273.24
InChIInChI=1S/C14H11NO5/c16-14(19-10-11-4-2-1-3-5-11)20-13-8-6-12(7-9-13)15(17)18/h1-9H,10H2
InChIKey QIXRWIVDBZJDGD-UHFFFAOYSA-N
SmilesC(OCC1=CC=CC=C1)(=O)OC1=CC=C([N+]([O-])=O)C=C1
-
MassMS-NW-7914 benzyl p-nitrophenyl carbonate C14H11NO5 (Mass of molecular ion: 273)
Source Temperature: 190 °C Sample Temperature: 140 °C Direct, 75 eV
18.0 1.3 28.0 1.1 30.0 2.4 38.0 1.1 39.0 3.2 44.0 2.9 50.0 1.5 51.0 2.3 63.0 2.7 64.0 1.9 65.0 7.3 77.0 2.0 89.0 1.4 90.0 1.2 91.0 100.0 92.0 8.4 139.0 1.4
90 MHz in CDCl3
-
1H NMR 89.56 MHz C14 H11 N O5 0.040 g : 0.5 ml CDCl3 benzyl p-nitrophenyl carbonate 
Assign. Shift(ppm)
A 8.253 B 7.42 C 7.36 D 5.297
Hz ppm Int.747.25 8.344 32 744.25 8.311 209 742.00 8.285 75 737.25 8.232 85 734.88 8.206 255 731.75 8.171 36 672.94 7.514 29 672.13 7.505 35 671.75 7.501 36 671.25 7.495 35 664.38 7.419 1000 660.25 7.373 64 657.44 7.341 97 655.13 7.315 216 652.06 7.281 33 474.44 5.298 544 472.50 5.276 34
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
