产品名称:2-硝基苄氯
CAS:612-23-7
分子式:C7H6ClNO2
分子量: 171.58
InChI:InChI=1S/C7H6ClNO2/c8-5-6-3-1-2-4-7(6)9(10)11/h1-4H,5H2
InChIKey: BXCBUWKTXLWPSB-UHFFFAOYSA-N
Smiles:C1(CCl)=CC=CC=C1[N+]([O-])=O
MS
1HNMR
13CNMR
IR1
IR2
Raman
Mass
MS-NW-8850 o-nitrobenzyl chloride C7H6ClNO2 (Mass of molecular ion: 171)
Source Temperature: 260 °C Sample Temperature: 140 °C Reservoir, 75 eV
18.0 1.9 26.0 1.4 27.0 3.6 28.0 5.6 29.0 2.8 30.0 10.1 36.0 3.1 37.0 3.0 38.0 8.3 39.0 28.6 40.0 3.6 41.0 1.9 43.0 1.0 44.0 1.4 46.0 1.3 49.0 2.5 50.0 16.1 51.0 31.6 52.0 11.0 53.0 4.7 61.0 4.8 62.0 15.7 63.0 49.2 64.0 15.5 65.0 75.0 66.0 6.0 73.0 7.0 74.0 4.1 75.0 7.8 76.0 6.3 77.0 49.8 78.0 44.2 79.0 13.6 80.0 17.3 81.0 2.3 85.0 1.9 86.0 3.5 87.0 3.6 88.0 1.6 89.0 100.0 90.0 47.8 91.0 12.4 92.0 88.4 93.0 7.1 97.0 1.2 99.0 26.6 100.0 2.1 101.0 8.5 104.0 1.2 105.0 15.2 106.0 4.8 108.0 29.9 109.0 2.3 112.0 1.3 118.0 2.4 119.0 6.6 120.0 2.8 123.0 1.0 124.0 3.0 125.0 19.3 126.0 11.5 127.0 7.0 128.0 3.5 136.0 53.7 137.0 4.3 154.0 1.7
90 MHz in CDCl3
Assign. Shift(ppm) A 8.043 B 6.66 C 7.65 D 7.50 E 4.970
Hz ppm Int.
725.88 8.105 67 724.94 8.095 109 723.38 8.078 60 718.00 8.017 125 716.44 8.000 104 690.38 7.709 172 689.00 7.694 239 686.06 7.661 223 685.00 7.649 296 683.50 7.632 203 679.50 7.588 136 677.75 7.568 49 675.63 7.544 81 674.13 7.528 57 671.88 7.503 85 666.13 7.438 43 445.25 4.972 1000
in CDCl3
KBr disc
nujol mull
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2-硝基苄氯(612-23-7)红外图谱(IR1)相关产品图谱