DIBENZOFURAN-2-SULFONIC ACID(83863-63-2) MS
Product NameDIBENZOFURAN-2-SULFONIC ACID
CAS83863-63-2
Molecular FormulaC12H8O4S
Molecular Weight248.25
InChIInChI=1S/C12H8O4S/c13-17(14,15)8-5-6-12-10(7-8)9-3-1-2-4-11(9)16-12/h1-7H,(H,13,14,15)
InChIKey JANFYPHFIPGYTQ-UHFFFAOYSA-N
SmilesO1C2=CC=CC=C2C2=CC(S(O)(=O)=O)=CC=C12
-
MassMS-NW-6978 2-dibenzofuransulfonic acid C12H8O4S (Mass of molecular ion: 248)
Source Temperature: 190 °C Sample Temperature: 150 °C Direct, 75 eV
17.0 1.2 18.0 5.1 39.0 2.1 50.0 1.4 51.0 1.6 62.0 1.8 63.0 4.7 64.0 1.0 69.5 5.4 74.0 2.1 75.0 2.6 77.0 1.5 86.0 2.6 87.0 3.0 88.0 1.4 89.0 3.1 101.0 1.5 111.0 1.1 113.0 4.1 126.0 1.4 127.0 4.9 128.0 2.5 137.0 2.4 138.0 3.7 139.0 27.3 140.0 4.0 155.0 14.7 156.0 2.0 166.0 2.0 167.0 16.7 168.0 4.2 183.0 8.4 184.0 5.9 248.0 100.0 249.0 14.7 250.0 6.4
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C12 H8 O4 S 0.041 g : 0.5 ml DMSO-d6 2-dibenzofuransulfonic acid 
Assign. Shift(ppm)
A 8.474 B 8.261 C 7.886 D 7.74 E 7.72 F 7.573 G 7.450
Hz ppm Int.3387.45 8.477 587 3386.11 8.473 617 3306.15 8.273 325 3305.54 8.272 346 3302.12 8.263 35 3301.64 8.262 35 3298.46 8.254 357 3297.85 8.252 358 3157.59 7.901 299 3155.88 7.897 302 3152.83 7.889 30 3152.47 7.889 30 3149.05 7.880 381 3147.34 7.876 394 3098.51 7.754 428 3095.21 7.745 47 3094.36 7.743 50 3090.82 7.734 1000 3085.57 7.721 44 3082.52 7.714 502 3079.10 7.705 38 3035.40 7.596 199 3034.06 7.592 221 3027.95 7.577 298 3026.86 7.574 382 3019.78 7.557 226 3018.43 7.553 228 2984.99 7.470 256 2984.13 7.467 273 2981.57 7.461 31 2977.29 7.450 409 2976.68 7.449 418 2969.97 7.432 199 2969.12 7.430 202
in D2O
in DMSO-d6
KBr disc
nujol mull
