2-Sulfobenzoic anhydride(81-08-3) 1H NMR
Product Name2-Sulfobenzoic anhydride
CAS81-08-3
Molecular FormulaC7H4O4S
Molecular Weight184.17
InChIInChI=1S/C7H4O4S/c8-7-5-3-1-2-4-6(5)12(9,10)11-7/h1-4H
InChIKey NCYNKWQXFADUOZ-UHFFFAOYSA-N
SmilesS1(=O)(=O)C2=CC=CC=C2C(=O)O1
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MassMS-NW-4855 o-sulfobenzoic cyclic anhydride C7H4O4S (Mass of molecular ion: 184)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
17.0 1.0 18.0 5.1 28.0 4.8 37.0 4.3 38.0 8.7 39.0 2.2 44.0 1.5 46.0 2.8 48.0 1.6 49.0 2.4 50.0 48.4 51.0 2.9 52.0 1.6 53.0 1.0 61.0 1.3 62.0 1.6 63.0 5.5 64.0 5.7 69.0 1.6 73.0 2.5 74.0 11.7 75.0 8.9 76.0 93.7 77.0 6.8 92.0 16.2 93.0 1.1 104.0 100.0 105.0 8.1 120.0 45.5 121.0 3.8 184.0 32.8 185.0 3.0 186.0 1.9
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C7 H4 O4 S 0.067 g : 0.5 ml DMSO-d6 o-sulfobenzoic cyclic anhydride 
Assign. Shift(ppm)
A *1 7.872 B *1 7.708 C *2 7.56 D *2 7.51
Hz ppm Int.3150.15 7.883 778 3142.46 7.864 855 3084.96 7.720 687 3083.62 7.716 804 3079.96 7.707 245 3077.39 7.701 812 3076.29 7.698 947 3030.40 7.583 313 3029.30 7.580 390 3026.12 7.572 199 3023.07 7.565 768 3021.85 7.562 880 3018.80 7.554 278 3017.94 7.552 263 3015.75 7.546 671 3014.28 7.543 723 3011.35 7.535 791 3010.01 7.532 866 3006.59 7.524 306 3003.91 7.517 909 3002.69 7.514 1000 2996.34 7.498 388 2995.48 7.496 410 2992.31 7.488 168 2991.21 7.485 116
KBr disc
nujol mull
