Bis(3-nitrophenyl) disulfide(537-91-7) IR1
Product NameBis(3-nitrophenyl) disulfide
CAS537-91-7
Molecular FormulaC12H8N2O4S2
Molecular Weight308.33
InChIInChI=1S/C12H8N2O4S2/c15-13(16)9-3-1-5-11(7-9)19-20-12-6-2-4-10(8-12)14(17)18/h1-8H
InChIKey ODOFDWDUSSFUMN-UHFFFAOYSA-N
SmilesS(C1=CC=CC([N+]([O-])=O)=C1)SC1=CC=CC([N+]([O-])=O)=C1
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MassMS-NW-6861 bis(m-nitrophenyl) disulfide C12H8N2O4S2 (Mass of molecular ion: 308)
Source Temperature: 180 °C Sample Temperature: 110 °C Direct, 75 eV
18.0 3.6 28.0 1.0 30.0 1.5 38.0 1.3 39.0 2.6 45.0 3.8 50.0 2.6 51.0 1.3 58.0 5.2 62.0 1.3 63.0 6.7 64.0 2.2 65.0 1.3 69.0 17.3 70.0 2.0 71.0 1.5 74.0 1.0 75.0 1.7 76.0 2.4 81.0 1.2 82.0 8.2 92.0 1.1 95.0 1.6 96.0 7.1 107.0 1.6 108.0 35.9 109.0 6.0 110.0 2.1 124.0 2.5 138.0 2.3 139.0 1.1 140.0 4.0 154.0 9.6 155.0 4.4 156.0 1.0 168.0 4.2 170.0 3.0 171.0 7.5 172.0 1.7 184.0 1.1 199.0 4.1 200.0 1.6 203.0 5.0 204.0 4.3 205.0 1.1 215.0 1.2 230.0 1.1 308.0 100.0 309.0 15.7 310.0 11.3 311.0 1.6
in CDCl3
90 MHz in CDCl3
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1H NMR 89.56 MHz C12 H8 N2 O4 S2 0.040 g : 0.5 ml CDCl3 bis(m-nitrophenyl) disulfide 
Assign. Shift(ppm)
A 8.364 B 8.099 C 7.804 D 7.537
Hz ppm Int.751.50 8.392 462 751.13 8.387 438 749.38 8.368 1000 747.50 8.347 686 747.06 8.342 567 731.50 8.168 375 730.31 8.155 458 729.31 8.144 334 728.13 8.131 339 723.50 8.079 486 722.31 8.066 574 721.38 8.055 457 720.19 8.042 475 705.50 7.878 321 704.31 7.865 428 703.63 7.857 321 702.44 7.844 352 697.63 7.790 662 696.44 7.777 679 695.75 7.769 682 694.56 7.756 541 681.50 7.610 830 681.00 7.604 751 673.56 7.521 976 673.13 7.516 910 665.63 7.433 358 665.19 7.428 334
in CDCl3
KBr disc
Nujol
