产品名称:1-碘-3-硝基苯
CAS:645-00-1
分子式:C6H4INO2
分子量: 249.01
InChI:InChI=1S/C6H4INO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H
InChIKey: CBYAZOKPJYBCHE-UHFFFAOYSA-N
Smiles:C1(I)=CC=CC([N+]([O-])=O)=C1
MS
1HNMR
13CNMR
IR1
IR2
Raman
Mass
MS-NW-1383 m-iodonitrobenzene C6H4INO2 (Mass of molecular ion: 249)
Source Temperature: 250 °C Sample Temperature: 180 °C Reservoir, 75 eV
28.0 1.0 30.0 4.5 37.0 2.4 38.0 3.0 39.0 1.3 49.0 1.6 50.0 31.0 51.0 2.2 62.0 1.0 63.0 2.9 64.0 4.3 73.0 2.0 74.0 10.6 75.0 13.2 76.0 73.9 77.0 5.1 92.0 10.7 127.0 2.4 191.0 4.7 203.0 51.6 204.0 3.5 219.0 1.1 249.0 100.0 250.0 7.0
90 MHz in CDCl3
Assign. Shift(ppm) A 8.563 B 8.201 C 8.029 D 7.302
Hz ppm Int.
768.81 8.585 471 767.00 8.565 774 765.25 8.545 597 740.69 8.271 359 739.63 8.259 412 738.44 8.246 328 737.44 8.235 351 732.44 8.179 409 731.44 8.168 493 730.25 8.154 392 729.19 8.142 449 724.75 8.093 427 723.69 8.081 448 723.13 8.075 436 722.06 8.063 389 716.88 8.005 557 715.81 7.993 518 715.25 7.987 589 714.19 7.975 455 661.19 7.383 644 653.31 7.295 1000 645.44 7.207 409 645.13 7.204 425
in CDCl3
KBr disc
nujol mull
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1-碘-3-硝基苯(645-00-1)Raman光谱相关产品图谱