3,6-DIMETHYLPHENANTHRENE(1576-67-6) IR1
Product Name3,6-DIMETHYLPHENANTHRENE
CAS1576-67-6
Molecular FormulaC16H14
Molecular Weight206.28
InChIInChI=1S/C16H14/c1-11-3-5-13-7-8-14-6-4-12(2)10-16(14)15(13)9-11/h3-10H,1-2H3
InChIKey OMIBPZBOAJFEJS-UHFFFAOYSA-N
SmilesC1=C2C(C3C(C=C2)=CC=C(C)C=3)=CC(C)=C1
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MassMS-NW-0116 3,6-dimethylphenanthrene C16H14 (Mass of molecular ion: 206)
Source Temperature: 180 °C Sample Temperature: 0 °C Direct, 75 eV
17.0 1.3 18.0 7.0 28.0 8.4 32.0 3.4 63.0 1.1 73.0 1.1 76.0 2.8 82.5 1.1 88.0 2.4 89.0 4.3 94.5 3.2 95.0 2.5 95.5 1.0 100.0 1.1 101.0 4.7 101.5 1.3 102.0 7.6 102.5 1.9 103.0 4.9 149.0 1.2 152.0 1.6 163.0 1.2 165.0 2.3 176.0 1.6 178.0 2.4 179.0 1.8 187.0 1.0 188.0 1.2 189.0 17.4 190.0 10.4 191.0 21.5 192.0 4.1 200.0 1.1 201.0 1.1 202.0 5.4 203.0 3.6 204.0 1.9 205.0 19.0 206.0 100.0 207.0 17.6 208.0 1.5 211.0 2.0 212.0 4.5
parameter in CS2
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 300 MHz C16 H14 in CS2 3,6-dimethylphenanthrene 
Parameter ppm Hz
D(A) 7.62 D(B) 7.28 D(C) 8.315 J(A,B) 8.2 J(A,C) 0.3 J(B,C) 1.75 D(D) 2.595 D(E) 7.485 BARTLE,K.D. & SMITH,J.A.S. SPECTROCHIM.ACTA 23A, 1689 (1967)
Hz ppm Int.2495.36 8.318 149 2493.66 8.312 150 2290.32 7.634 131 2282.13 7.607 153 2245.51 7.485 333 2188.78 7.296 95 2187.13 7.290 94 2180.59 7.269 81 2178.89 7.263 80 778.51 2.595 1000
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1H NMR 399.65 MHz C16 H14 16.5 mg : 0.5 ml CDCl3 3,6-dimethylphenanthrene Assign. Shift(ppm)
A 8.453 B 7.752 C 7.621 D 7.397 E 2.609 J(B,D)=8.1HZ. J(A,D)=1.1HZ.
Hz ppm Int.3378.42 8.454 186 3102.54 7.764 195 3094.48 7.743 218 3045.90 7.622 520 2960.57 7.408 116 2959.47 7.406 118 2952.64 7.389 105 2951.42 7.386 103 1042.60 2.609 1000
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1H NMR 89.56 MHz C16 H14 0.046 g : 0.5 ml CDCl3 3,6-dimethylphenanthrene Assign. Shift(ppm)
A 8.41 B 7.70 C 7.58 D 7.36 E 2.57
Hz ppm Int.753.50 8.414 177 694.81 7.759 161 686.69 7.668 255 678.69 7.579 574 662.50 7.398 124 661.25 7.384 130 654.31 7.306 80 653.13 7.293 79 229.94 2.568 1000
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
