Curcumin(458-37-7) MS
Molecular FormulaC21H20O6
Molecular Weight368.38
InChIInChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
InChIKey VFLDPWHFBUODDF-FCXRPNKRSA-N
SmilesC1(/C=C/C(=O)CC(=O)/C=C/C2C=CC(O)=C(OC)C=2)C=CC(O)=C(OC)C=1
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MassMS-NW-0387 trans,trans-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione C21H20O6 (Mass of molecular ion: 368)
Source Temperature: 170 °C Sample Temperature: 270 °C Direct, 75 eV
15.0 1.3 18.0 1.7 27.0 1.4 28.0 2.6 39.0 5.5 41.0 1.9 43.0 1.8 50.0 2.3 51.0 7.5 52.0 4.6 53.0 2.9 54.0 1.0 55.0 4.1 62.0 1.6 63.0 5.6 64.0 1.9 65.0 6.5 66.0 1.0 67.0 1.0 69.0 5.8 75.0 1.5 76.0 2.1 77.0 12.2 78.0 9.1 79.0 2.9 81.0 1.1 88.0 1.1 89.0 16.1 90.0 3.0 91.0 10.0 92.0 1.5 94.0 1.5 95.0 1.1 101.0 1.9 102.0 3.1 103.0 7.8 104.0 1.5 105.0 5.6 106.0 4.6 107.0 7.2 108.0 1.4 109.0 1.7 110.0 2.0 115.0 3.7 116.0 1.0 117.0 15.7 118.0 5.7 119.0 6.1 120.0 3.3 121.0 1.5 122.0 1.7 123.0 1.4 124.0 3.7 127.0 1.2 128.0 1.0 130.0 2.7 131.0 17.4 132.0 3.8 133.0 4.5 134.0 8.6 135.0 13.0 136.0 5.2 137.0 38.8 138.0 5.3 139.0 3.8 140.0 1.1 143.0 3.0 144.0 1.7 145.0 32.3 146.0 7.4 147.0 18.0 148.0 6.6 149.0 12.4 150.0 28.3 151.0 6.0 152.0 1.3 154.0 1.9 155.0 1.0 159.0 6.4 160.0 5.3 161.0 6.3 162.0 3.8 163.0 6.2 164.0 7.0 165.0 1.7 168.0 2.3 169.0 1.1 170.0 1.6 171.0 1.1 173.0 2.2 174.0 5.5 175.0 10.7 176.0 8.6 177.0 100.0 178.0 15.1 179.0 3.4 184.0 1.9 185.0 1.0 187.0 1.7 188.0 1.2 189.0 2.1 190.0 41.4 191.0 33.2 192.0 6.1 193.0 1.2 201.0 2.8 202.0 3.3 203.0 4.8 204.0 3.7 205.0 1.2 206.0 1.3 207.0 1.1 211.0 1.2 213.0 1.1 214.0 1.5 215.0 1.1 216.0 1.8 217.0 15.6 218.0 4.7 219.0 3.3 226.0 4.7 227.0 2.6 230.0 1.3 231.0 3.9 232.0 14.0 233.0 2.5 242.0 1.9 243.0 1.0 244.0 6.8 245.0 2.6 259.0 1.5 270.0 3.2 271.0 2.5 272.0 15.7 273.0 2.9 298.0 2.4 307.0 1.5 319.0 2.6 320.0 4.8 321.0 2.0 322.0 2.3 325.0 1.0 326.0 1.6 333.0 1.8 335.0 4.1 336.0 1.4 337.0 1.1 338.0 4.3 339.0 2.1 340.0 2.0 349.0 4.8 350.0 34.1 351.0 10.7 352.0 2.3 367.0 1.7 368.0 36.9 369.0 8.7 370.0 2.1
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C21 H20 O6 0.039 g : 0.5 ml DMSO-d6 trans,trans-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione 
Assign. Shift(ppm)
A 16.5 B 9.70 C 7.578 D 7.345 E 7.172 F 6.852 G 6.779 J 6.075 K 3.859
Hz ppm Int.3875.24 9.697 194 3036.62 7.599 153 3021.00 7.560 159 2936.52 7.348 171 2934.81 7.344 170 2871.83 7.186 79 2870.12 7.182 86 2863.53 7.166 94 2861.82 7.161 99 2742.68 6.863 215 2734.62 6.843 207 2717.04 6.799 152 2701.17 6.759 138 2427.98 6.076 139 1542.72 3.861 1000
in DMSO-d6
KBr disc
nujol mull
