1-BENZYLOXY-2-METHOXY-4-(1-PROPENYL)BENZENE(92666-21-2) MS
Product Name1-BENZYLOXY-2-METHOXY-4-(1-PROPENYL)BENZENE
CAS92666-21-2
Molecular FormulaC17H18O2
Molecular Weight254.32
InChIInChI=1S/C17H18O2/c1-3-7-14-10-11-16(17(12-14)18-2)19-13-15-8-5-4-6-9-15/h3-12H,13H2,1-2H3/b7-3+
InChIKey YKSSSKBJDZDZTD-XVNBXDOJSA-N
SmilesC1(OCC2=CC=CC=C2)=CC=C(/C=C/C)C=C1OC
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MassMS-IW-5489 trans-1-benzyloxy-2-methoxy-4-(1-propenyl)benzene C17H18O2 (Mass of molecular ion: 254)
Source Temperature: 150 °C Sample Temperature: 120 °C Direct, 75 eV
39.0 2.0 41.0 3.4 51.0 1.4 55.0 1.8 63.0 1.2 65.0 6.5 77.0 3.2 79.0 3.0 89.0 1.3 91.0 66.8 92.0 5.9 95.0 1.0 103.0 4.2 105.0 2.4 107.0 16.8 108.0 1.3 115.0 2.3 117.0 2.8 118.0 1.4 131.0 1.2 133.0 1.5 135.0 3.7 162.0 1.0 163.0 100.0 164.0 12.0 165.0 1.4 254.0 69.1 255.0 12.9 256.0 1.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C17 H18 O2 0.046 g : 0.5 ml CDCl3 trans-1-benzyloxy-2-methoxy-4-(1-propenyl)benzene 
Assign. Shift(ppm)
A 7.417 B 7.341 C 7.280 D 6.900 E 6.78 F 6.78 G 6.310 J 6.090 K 5.120 L 3.875 M 1.844 J(G,J)=15.7HZ J(G,M)=-1.7HZ
Hz ppm Int.2970.28 7.433 88 2969.51 7.431 86 2968.75 7.429 117 2963.56 7.416 104 2961.88 7.412 168 2961.27 7.410 158 2960.66 7.409 141 2958.68 7.404 36 2942.20 7.362 70 2941.13 7.360 100 2933.96 7.342 200 2932.43 7.338 91 2927.86 7.327 63 2926.64 7.324 105 2915.80 7.296 50 2914.28 7.293 79 2912.90 7.289 41 2909.55 7.281 30 2907.10 7.275 79 2757.87 6.901 121 2756.81 6.899 113 2711.49 6.785 375 2709.96 6.781 161 2531.74 6.335 49 2530.06 6.331 47 2516.02 6.296 69 2514.34 6.292 68 2444.00 6.116 94 2437.44 6.099 94 2428.28 6.077 63 2421.72 6.060 69 2046.36 5.121 365 1548.77 3.876 1000 741.27 1.855 261 739.59 1.851 255 734.71 1.839 266 733.03 1.835 258
in CDCl3
KBr disc
nujol mull
