BISPHENOL A BIS(CHLOROFORMATE)(2024-88-6) 13C NMR
Product NameBISPHENOL A BIS(CHLOROFORMATE)
CAS2024-88-6
Molecular FormulaC17H14Cl2O4
Molecular Weight353.2
InChIInChI=1S/C17H14Cl2O4/c1-17(2,11-3-7-13(8-4-11)22-15(18)20)12-5-9-14(10-6-12)23-16(19)21/h3-10H,1-2H3
InChIKey MMWCQWOKHLEYSP-UHFFFAOYSA-N
SmilesC(C)(C)(C1C=CC(OC(Cl)=O)=CC=1)C1=CC=C(OC(Cl)=O)C=C1
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MassMS-NW-9458 isopropylidenedi(p-phenylene) bis(chloroformate) C17H14Cl2O4 (Mass of molecular ion: 352)
Source Temperature: 180 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 2.2 39.0 1.3 41.0 1.7 51.0 1.1 63.0 4.7 65.0 2.2 77.0 3.4 89.0 1.4 91.0 3.4 102.0 1.7 103.0 1.0 115.0 4.8 116.0 1.0 117.0 1.2 118.0 1.4 125.0 1.0 127.0 1.8 128.0 2.5 129.0 1.5 134.0 1.2 137.0 1.5 139.0 2.0 141.0 1.6 151.0 1.3 152.0 4.2 153.0 5.5 154.0 1.6 155.0 3.8 165.0 7.4 166.0 5.4 167.0 4.1 168.0 1.3 169.0 1.9 176.0 1.2 177.0 3.6 178.0 7.1 179.0 2.9 181.0 11.4 182.0 1.6 183.0 5.8 193.0 1.3 194.0 2.7 195.0 2.5 197.0 9.8 198.0 1.2 199.0 3.3 211.0 2.3 257.0 1.4 258.0 1.0 259.0 1.9 273.0 13.1 274.0 9.3 275.0 5.9 276.0 3.2 293.0 1.5 295.0 1.0 337.0 100.0 338.0 17.7 339.0 66.1 340.0 11.6 341.0 11.5 342.0 1.9 352.0 21.7 353.0 4.1 354.0 14.4 355.0 2.6 356.0 2.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C17 H14 Cl2 O4 0.031 g : 0.5 ml CDCl3 isopropylidenedi(p-phenylene) bis(chloroformate) 
Assign. Shift(ppm)
A 7.245 B 7.123 C 1.672
Hz ppm Int.2903.69 7.266 36 2900.76 7.259 344 2898.68 7.254 323 2894.04 7.242 135 2891.72 7.236 476 2888.92 7.229 65 2853.27 7.140 59 2850.46 7.133 495 2848.14 7.127 139 2843.63 7.116 116 2841.43 7.110 347 2838.50 7.103 40 668.21 1.672 1000
in CDCl3
KBr disc
nujol mull
