1,2,3,6,7,8-Hexahydropyrene-2,2,7,7-tetracarboxylic acid tetraethyl ester(80293-92-1) 13C NMR
Molecular FormulaC28H32O8
Molecular Weight
InChIInChI=1S/C28H32O8/c1-5-14-11-16-13-17(24(29)35-26(31)32)12-15-9-10-18-19(6-2)28(8-4,25(30)36-27(33)34)20(7-3)22(14)23(18)21(15)16/h9-11,17,19-20H,5-8,12-13H2,1-4H3,(H,31,32)(H,33,34)
InChIKey VWIWLGSSXZGZOM-UHFFFAOYSA-N
SmilesC1(CC)C2C3C4C(=CC=2)CC(C(OC(O)=O)=O)CC=4C=C(CC)C=3C(CC)C1(CC)C(OC(O)=O)=O
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MassMS-IW-2024 tetraethyl 1,2,3,6,7,8-hexahydro-2,2,7,7-pyrenetetracarboxylate C28H32O8 (Mass of molecular ion: 496)
Source Temperature: 210 °C Sample Temperature: 170 °C Direct, 75 eV
27.0 1.1 28.0 2.3 29.0 10.2 44.0 2.4 57.0 1.0 101.0 1.0 189.0 1.5 200.0 1.5 201.0 4.7 202.0 34.4 203.0 69.0 204.0 14.6 205.0 2.7 229.0 4.0 230.0 1.9 231.0 11.7 232.0 3.1 246.0 5.5 247.0 15.8 248.0 5.2 249.0 2.1 273.0 1.6 274.0 1.6 275.0 17.9 276.0 8.2 277.0 9.7 278.0 2.1 291.0 4.4 292.0 1.3 303.0 1.6 305.0 3.5 319.0 8.6 320.0 3.4 321.0 4.5 322.0 1.0 348.0 8.9 349.0 94.2 350.0 25.4 351.0 4.9 376.0 1.4 377.0 3.8 378.0 1.3 393.0 79.9 394.0 23.5 395.0 11.3 396.0 2.3 422.0 30.9 423.0 34.3 424.0 10.4 425.0 1.9 451.0 2.2 496.0 100.0 497.0 31.3 498.0 6.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C28 H32 O8 0.011 g : 0.5 ml CDCl3 tetraethyl 1,2,3,6,7,8-hexahydro-2,2,7,7-pyrenetetracarboxylate 
Assign. Shift(ppm)
A 7.213 B 4.093 C 3.566 D 1.108
Hz ppm Int.2882.81 7.214 456 1646.73 4.121 141 1639.65 4.103 459 1632.57 4.085 459 1625.49 4.068 145 1425.29 3.567 711 449.83 1.126 472 442.75 1.108 1000 435.67 1.091 458
in CDCl3
