Zinc benzoate(553-72-0) IR2
Product NameZinc benzoate
CAS553-72-0
Molecular FormulaC7H6O2Zn
Molecular Weight187.5
InChIInChI=1S/C7H6O2.Zn/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);
InChIKey VEEBLJYPXXIVEB-UHFFFAOYSA-N
SmilesC(C1C=CC=CC=1)(=O)O.[Zn]
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MassMS-IW-3964 zinc benzoate C14H10O4Zn (Mass of molecular ion: 306)
Source Temperature: 180 °C Sample Temperature: 320 °C Direct, 75 eV
27.0 1.6 28.0 3.7 37.0 1.1 38.0 2.1 38.5 1.4 39.0 4.0 41.0 1.0 43.0 1.6 44.0 11.4 50.0 9.5 51.0 22.2 52.0 4.4 52.5 1.2 55.0 1.2 57.0 1.3 63.0 1.1 64.0 2.2 65.0 2.6 66.0 1.2 74.0 4.0 75.0 3.1 76.0 7.5 77.0 91.8 78.0 18.9 79.0 1.5 91.0 1.2 93.0 1.3 94.0 1.9 104.0 1.6 105.0 100.0 106.0 8.3 122.0 78.3 123.0 6.3 135.0 2.2 140.0 1.4 141.0 20.4 142.0 2.3 143.0 11.6 144.0 2.7 145.0 7.7 152.0 1.6 153.0 4.2 154.0 34.2 155.0 4.9 180.0 1.6 181.0 1.8 185.0 10.2 186.0 1.0 187.0 5.9 188.0 1.3 189.0 4.1 198.0 1.4 218.0 10.1 219.0 1.4 220.0 6.1 221.0 1.8 222.0 4.1 262.0 27.5 263.0 4.1 264.0 15.6 265.0 4.6 266.0 10.7 267.0 1.5 306.0 16.6 307.0 2.7 308.0 9.4 309.0 2.8 310.0 6.8 311.0 1.0
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C14 H10 O4 Zn 0.037 g : 0.5 ml DMSO-d6 zinc benzoate 
Assign. Shift(ppm)
A 7.975 B 7.499 C 7.428
Hz ppm Int.3194.09 7.993 117 3192.26 7.988 651 3190.92 7.985 866 3189.58 7.981 414 3186.04 7.973 262 3184.08 7.968 994 3182.50 7.964 815 3007.81 7.527 92 3006.35 7.523 167 3005.00 7.520 108 3001.59 7.511 125 2999.15 7.505 475 2996.83 7.499 174 2993.29 7.490 253 2991.82 7.487 431 2990.36 7.483 238 2987.18 7.475 34 2975.83 7.447 679 2974.49 7.443 319 2969.60 7.431 560 2968.26 7.428 1000 2962.77 7.414 177 2961.18 7.410 446 2960.08 7.407 276
in DMSO-d6
KBr disc
nujol mull
