产品名称:3-硝基苯磺酰氯
CAS:121-51-7
分子式:C6H4ClNO4S
分子量: 221.62
InChI:InChI=1S/C6H4ClNO4S/c7-13(11,12)6-3-1-2-5(4-6)8(9)10/h1-4H
InChIKey: MWWNNNAOGWPTQY-UHFFFAOYSA-N
Smiles:C1(S(Cl)(=O)=O)=CC=CC([N+]([O-])=O)=C1
MS
1HNMR
13CNMR
IR1
IR2
Raman
Mass
MS-IW-3452 m-nitrobenzenesulfonyl chloride C6H4ClNO4S (Mass of molecular ion: 221)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
28.0 2.2 30.0 3.1 36.0 2.1 37.0 1.3 38.0 2.6 39.0 2.6 45.0 1.1 48.0 2.2 50.0 25.3 51.0 5.4 52.0 1.3 62.0 1.5 63.0 5.2 64.0 8.1 65.0 1.9 69.0 1.8 70.0 1.5 73.0 1.6 74.0 8.7 75.0 37.0 76.0 32.7 77.0 8.1 91.0 3.6 92.0 12.5 93.0 1.6 95.0 1.2 96.0 1.1 99.0 5.3 101.0 1.7 111.0 3.7 113.0 1.1 122.0 53.6 123.0 7.1 124.0 1.4 155.0 1.7 170.0 1.1 175.0 2.7 177.0 1.0 186.0 100.0 187.0 8.0 188.0 5.6 221.0 8.7 223.0 3.3
90 MHz in CDCl3
Assign. Shift(ppm) A 8.882 B 8.624 C 8.394 D 7.933
Hz ppm Int.
798.06 8.911 439 797.63 8.907 484 795.81 8.886 1000 794.00 8.866 661 793.56 8.861 631 778.56 8.694 412 777.44 8.681 488 776.38 8.669 382 775.25 8.657 398 770.38 8.602 482 769.25 8.590 591 768.25 8.579 475 767.13 8.566 502 757.94 8.463 431 756.75 8.450 499 756.06 8.442 439 754.88 8.429 439 749.94 8.374 663 748.81 8.361 597 748.06 8.353 689 746.94 8.341 555 717.56 8.013 696 717.13 8.008 745 709.50 7.923 932 709.13 7.918 959 701.50 7.833 409 701.06 7.828 419
in CDCl3
KBr disc
nujol mull
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3-硝基苯磺酰氯(121-51-7)质谱(MS)相关产品图谱