SPIROBICROMANE(3127-14-8) MS
Product NameSPIROBICROMANE
CAS3127-14-8
Molecular FormulaC21H24O4
Molecular Weight340.41
InChIInChI=1S/C21H24O4/c1-19(2)11-21(24-17-9-13(22)5-7-15(17)19)12-20(3,4)16-8-6-14(23)10-18(16)25-21/h5-10,22-23H,11-12H2,1-4H3
InChIKey BWQOXWHQZXVXSD-UHFFFAOYSA-N
SmilesC12(OC3=CC(O)=CC=C3C(C)(C)C1)OC1=CC(O)=CC=C1C(C)(C)C2
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MassMS-IW-4048 4,4,4',4'-tetramethyl-2,2'-spirobicromane-7,7'-diol C21H24O4 (Mass of molecular ion: 340)
Source Temperature: 180 °C Sample Temperature: 140 °C Direct, 75 eV
17.0 1.6 18.0 8.6 39.0 1.1 41.0 2.1 43.0 2.4 53.0 1.0 55.0 1.7 65.0 1.3 69.0 2.1 77.0 3.2 79.0 2.2 81.0 1.5 91.0 2.6 93.0 1.0 103.0 1.2 105.0 1.6 107.0 3.6 115.0 1.0 119.0 1.8 121.0 1.3 123.0 6.6 131.0 2.1 132.0 1.8 135.0 5.3 137.0 5.6 138.5 1.9 146.0 2.5 147.0 4.6 148.0 1.1 149.0 2.4 150.0 5.5 151.0 100.0 152.0 10.2 155.0 25.2 155.5 5.4 160.0 4.4 161.0 2.3 162.5 3.2 163.0 1.8 170.0 1.3 174.0 5.3 175.0 92.9 176.0 11.3 177.0 2.3 189.0 2.9 190.0 5.6 191.0 1.0 215.0 8.6 216.0 1.4 325.0 23.3 326.0 5.2 340.0 19.2 341.0 4.5
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C21 H24 O4 0.031 g : 0.5 ml DMSO-d6 4,4,4',4'-tetramethyl-2,2'-spirobicromane-7,7'-diol 
Assign. Shift(ppm)
A 9.14 B 7.149 C 6.373 D 5.968 E *1 2.042 F *1 1.907 G *2 1.474 J *2 1.255
Hz ppm Int.3655.24 9.147 754 2861.63 7.161 313 2853.24 7.140 337 2552.80 6.388 197 2550.20 6.382 204 2544.25 6.367 193 2541.81 6.361 202 2386.32 5.972 419 2383.88 5.965 413 824.43 2.063 162 810.39 2.028 237 768.28 1.923 213 754.24 1.888 151 589.29 1.475 1000 576.32 1.443 22 501.56 1.255 902
in DMSO-d6
KBr disc
nujol mull
