1-Naphthalenesulfonyl chloride(85-46-1) MS
Product Name1-Naphthalenesulfonyl chloride
CAS85-46-1
Molecular FormulaC10H7ClO2S
Molecular Weight226.68
InChIInChI=1S/C10H7ClO2S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKey DASJFYAPNPUBGG-UHFFFAOYSA-N
SmilesC1(S(Cl)(=O)=O)=C2C(C=CC=C2)=CC=C1
-
MassMS-NW-1977 1-naphthalenesulfonyl chloride C10H7ClO2S (Mass of molecular ion: 226)
Source Temperature: 230 °C Sample Temperature: 180 °C Reservoir, 75 eV
18.0 3.2 36.0 2.4 39.0 1.8 44.0 1.0 48.0 5.0 50.0 3.6 51.0 5.6 62.0 2.1 63.0 7.9 63.5 5.1 64.0 10.8 74.0 4.3 75.0 6.1 76.0 3.2 77.0 10.2 78.0 1.0 81.0 1.2 86.0 1.0 87.0 2.1 89.0 1.0 98.0 1.1 99.0 1.1 100.0 1.1 101.0 6.3 102.0 1.8 115.0 6.3 125.0 1.1 126.0 13.6 127.0 100.0 128.0 25.0 129.0 2.3 143.0 3.9 147.0 2.4 159.0 1.4 162.0 32.1 163.0 3.8 164.0 10.4 165.0 1.0 175.0 3.9 191.0 16.7 192.0 1.9 193.0 1.0 206.0 2.1 208.0 2.0 226.0 29.2 227.0 3.3 228.0 11.0 229.0 1.3 252.0 1.4 253.0 1.7 254.0 1.1 285.0 1.6 286.0 5.5 287.0 1.2
90 MHz in CDCl3
-
1H NMR 89.56 MHz C10 H7 Cl O2 S 0.042 g : 0.5 ml CDCl3 1-naphthalenesulfonyl chloride 
Assign. Shift(ppm)
A 8.78 B 8.354 C 8.20 D 8.00 E *1 7.77 F *1 7.71 G 7.59
Hz ppm Int.792.75 8.852 197 791.94 8.843 343 791.13 8.834 267 790.50 8.827 372 789.69 8.818 359 788.19 8.801 47 787.00 8.788 40 786.50 8.782 44 785.25 8.768 189 784.31 8.758 237 783.69 8.751 277 782.88 8.742 425 782.19 8.734 439 781.38 8.725 261 754.50 8.425 41 753.00 8.408 562 751.75 8.394 651 749.19 8.366 47 748.81 8.361 44 748.50 8.358 44 748.06 8.353 46 745.56 8.325 658 744.25 8.311 811 742.00 8.285 56 738.56 8.247 438 735.38 8.212 42 735.00 8.207 46 734.56 8.202 40 733.63 8.192 39 732.88 8.184 48 731.19 8.165 408 730.31 8.155 581 726.00 8.107 39 721.00 8.051 248 719.50 8.034 221 718.06 8.018 198 716.06 7.996 51 715.75 7.992 53 715.31 7.987 54 713.63 7.969 529 711.44 7.944 492 708.44 7.911 44 707.13 7.896 176 705.19 7.874 264 703.44 7.855 46 702.56 7.845 40 701.69 7.835 51 700.13 7.818 618 698.25 7.797 399 696.81 7.781 205 695.75 7.769 77 694.06 7.750 638 692.56 7.733 767 691.81 7.725 802 689.94 7.704 441 686.06 7.661 1000 684.81 7.647 492 682.44 7.620 59 681.88 7.614 53 681.75 7.613 53 680.94 7.604 40 680.50 7.599 44 678.50 7.576 703 677.75 7.568 745 675.69 7.545 46 670.25 7.484 460
KBr disc
