(E)-4'-Methoxy-4-octadecyloxychalcone(122207-20-9) MS
Product Name(E)-4'-Methoxy-4-octadecyloxychalcone
CAS122207-20-9
Molecular Formula
Molecular Weight
InChIInChI=1S/C34H50O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-37-33-24-19-30(20-25-33)21-28-34(35)31-22-26-32(36-2)27-23-31/h19-28H,3-18,29H2,1-2H3/b28-21+
InChIKey RZBXEEYRWNOHEK-SGWCAAJKSA-N
SmilesC(=C/C1=CC=C(OCCCCCCCCCCCCCCCCCC)C=C1)\C(C1=CC=C(OC)C=C1)=O
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MassMS-IW-1381 trans-4-methoxy-4'-(octadecyloxy)chalcone C34H50O3 (Mass of molecular ion: 506)
Source Temperature: 170 °C Sample Temperature: 150 °C Direct, 75 eV
29.0 3.0 39.0 1.0 41.0 7.5 42.0 1.0 43.0 12.4 55.0 6.1 56.0 1.3 57.0 7.7 69.0 2.4 71.0 2.5 83.0 1.5 85.0 1.2 97.0 1.2 108.0 4.2 121.0 14.2 122.0 1.4 133.0 2.6 134.0 3.7 146.0 1.4 147.0 1.0 161.0 8.6 162.0 1.1 165.0 2.0 211.0 2.7 223.0 1.4 225.0 7.5 226.0 4.8 237.0 3.2 238.0 1.1 239.0 6.3 240.0 1.4 253.0 12.2 254.0 27.5 255.0 10.4 256.0 1.7 267.0 7.6 268.0 1.6 316.0 1.1 344.0 1.1 345.0 1.2 357.0 11.1 358.0 3.3 365.0 1.2 371.0 3.8 372.0 2.1 373.0 2.1 379.0 1.5 385.0 2.2 393.0 1.8 407.0 2.3 408.0 1.0 421.0 2.2 422.0 1.6 435.0 2.4 436.0 1.3 449.0 2.7 450.0 1.7 463.0 2.4 464.0 1.1 475.0 1.7 476.0 1.1 477.0 3.1 478.0 10.7 479.0 3.8 488.0 1.5 491.0 2.8 492.0 1.4 505.0 15.3 506.0 100.0 507.0 36.9 508.0 9.1 509.0 1.7
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C34 H50 O3 0.033 g : 0.5 ml CDCl3 trans-4-methoxy-4'-(octadecyloxy)chalcone 
Assign. Shift(ppm)
A 8.020 B 7.775 C 7.596 D 7.436 E 6.958 F 6.930 G 4.025 J 3.846 K 1.806 L 1.47 M 1.38 to 1.28 N 1.26 P 0.878 J(B,D)=15.6HZ 90MHZ : HSP-05-314
Hz ppm Int.3209.84 8.032 92 3207.89 8.027 32 3200.93 8.010 97 3115.97 7.797 42 3100.46 7.758 52 3040.16 7.608 78 3038.33 7.603 30 3031.37 7.586 85 2978.39 7.453 74 2962.77 7.414 58 2785.40 6.970 97 2783.45 6.965 34 2778.44 6.953 31 2776.49 6.948 103 2773.56 6.940 101 2771.61 6.936 35 2764.77 6.918 88 1615.36 4.042 44 1608.76 4.026 93 1602.29 4.010 45 1536.99 3.846 445 722.29 1.808 33 714.48 1.788 30 539.43 1.350 31 539.06 1.349 31 538.57 1.348 31 538.21 1.347 31 535.16 1.340 37 529.66 1.326 52 529.30 1.325 52 528.69 1.323 52 528.08 1.322 52 527.71 1.321 52 526.00 1.317 54 525.51 1.315 54 518.19 1.297 80 502.56 1.258 1000 357.79 0.896 54 351.20 0.879 160 344.12 0.862 63
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1H NMR 89.56 MHz C34 H50 O3 0.033 g : 0.5 ml CDCl3 trans-4-methoxy-4'-(octadecyloxy)chalcone Assign. Shift(ppm)
A 8.011 B 7.76 C 7.59 D 7.45 E 6.96 F 6.93 G 4.025 J 3.842 K 1.81 L 1.26 M 0.88 400MHZ : HSP-42-097
Hz ppm Int.722.56 8.068 48 713.56 7.968 59 689.94 7.704 41 684.50 7.643 43 675.81 7.546 58 671.19 7.495 57 627.06 7.002 67 624.38 6.972 70 618.06 6.902 60 615.56 6.874 53 360.44 4.025 47 344.19 3.844 275 127.63 1.426 31 126.94 1.418 34 112.63 1.258 1000 83.50 0.933 30 80.50 0.899 30 78.56 0.878 67
in CDCl3
liquid film
