7-NITRO-3,4-BENZOCOUMARIN(6638-64-8) 1H NMR
Product Name7-NITRO-3,4-BENZOCOUMARIN
CAS6638-64-8
Molecular FormulaC13H7NO4
Molecular Weight241.2
InChIInChI=1S/C13H7NO4/c15-13-11-4-2-1-3-9(11)10-6-5-8(14(16)17)7-12(10)18-13/h1-7H
InChIKey KWGYGQPIDANWAX-UHFFFAOYSA-N
SmilesC12=CC([N+]([O-])=O)=CC=C1C1=CC=CC=C1C(=O)O2
-
MassMS-NW-6747 3-nitrobenzo(c)chromen-6-one C13H7NO4 (Mass of molecular ion: 241)
Source Temperature: 110 °C Sample Temperature: 110 °C Direct, 75 eV
18.0 2.0 27.0 1.0 28.0 1.0 30.0 6.0 37.0 1.4 38.0 3.1 39.0 7.1 46.0 1.0 50.0 6.3 51.0 5.9 52.0 1.0 53.0 1.9 55.0 1.4 56.0 1.1 56.5 1.9 61.0 3.2 62.0 9.0 63.0 17.7 64.0 1.9 65.0 3.7 69.0 3.2 69.5 20.8 70.0 2.9 73.0 1.1 74.0 9.3 75.0 9.2 76.0 2.6 77.0 3.3 83.0 1.0 85.0 2.7 86.0 8.4 87.0 11.2 88.0 5.7 89.0 14.2 90.0 1.3 91.0 2.6 92.0 2.0 97.5 1.6 98.0 4.7 99.0 3.3 100.0 1.7 101.0 6.9 102.0 1.1 109.0 1.1 110.0 3.0 111.0 4.1 112.0 2.2 113.0 11.3 114.0 2.3 126.0 3.7 127.0 14.9 128.0 1.9 129.0 1.8 137.0 7.7 138.0 12.7 139.0 100.0 140.0 13.1 155.0 10.3 156.0 1.5 166.0 1.4 167.0 57.3 168.0 8.1 183.0 46.3 184.0 6.6 195.0 10.7 196.0 1.9 211.0 9.1 212.0 1.6 225.0 1.1 241.0 99.0 242.0 15.0 243.0 2.1
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C13 H7 N O4 0.038 g : 0.5 mlSO-D6 3-nitrobenzo(c)chromen-6-one 
Assign. Shift(ppm)
A 8.588 B 8.498 C 8.297 D 8.169 E 8.158 F 8.021 G 7.812
Hz ppm Int.3437.38 8.601 535 3434.08 8.593 126 3431.27 8.586 107 3427.86 8.578 594 3400.51 8.509 406 3392.33 8.489 439 3320.56 8.309 362 3319.70 8.307 397 3312.62 8.289 392 3311.77 8.287 428 3269.29 8.181 312 3266.97 8.175 632 3263.06 8.165 696 3260.86 8.160 1000 3259.77 8.157 888 3257.57 8.152 193 3214.11 8.043 226 3212.77 8.039 246 3206.79 8.024 340 3206.05 8.023 365 3205.44 8.021 397 3198.73 8.004 260 3197.39 8.001 260 3129.76 7.832 291 3128.66 7.829 307 3121.83 7.812 451 3121.46 7.811 456 3114.50 7.794 231 3113.53 7.791 234
in DMSO-d6
KBr disc
nujol mull
