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18402-90-9More Spectrum > 3,5-Heptadien-2-one, (3E,5E)- (9CI)(18402-90-9)1HNMR
3,5-Heptadien-2-one, (3E,5E)- (9CI)
Product Name 3,5-Heptadien-2-one, (3E,5E)- (9CI)
CAS18402-90-9
MFC7H10O
MW110.15
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MassMS-NW-3135 trans,trans-3,5-heptadien-2-one C7H10O (Mass of molecular ion: 110)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 4.3 18.0 1.3 26.0 1.3 27.0 6.3 28.0 1.9 29.0 1.3 37.0 1.3 38.0 3.2 39.0 22.8 40.0 4.4 41.0 37.5 42.0 1.8 43.0 37.4 44.0 1.0 50.0 2.4 51.0 3.9 52.0 1.6 53.0 3.1 55.0 2.9 62.0 1.5 63.0 2.4 65.0 11.0 66.0 4.1 67.0 56.7 68.0 3.5 77.0 2.0 79.0 1.4 81.0 1.1 83.0 2.2 91.0 2.1 95.0 100.0 96.0 6.8 98.0 1.0 109.0 6.0 110.0 31.8 111.0 2.8 162.0 1.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H10 O 0.05 ml : 0.5 ml CDCl3 trans,trans-3,5-heptadien-2-one 
Assign. Shift(ppm)
A 7.107 B 6.21 C 6.19 D 6.042 E 2.258 F 1.873 ASSIGNED BY H-H AND C-H COSY. J(A,D)=15.1HZ
Hz ppm Int.2853.52 7.141 45 2850.10 7.132 38 2847.41 7.125 34 2843.87 7.116 48 2838.01 7.102 47 2834.72 7.094 36 2832.28 7.087 33 2830.81 7.084 32 2828.25 7.077 53 2488.16 6.226 47 2486.94 6.223 72 2484.99 6.218 236 2481.08 6.209 119 2478.64 6.203 123 2477.29 6.199 221 2475.83 6.195 60 2474.00 6.191 44 2463.50 6.165 34 2461.91 6.161 36 2422.24 6.061 136 2407.10 6.024 130 902.59 2.259 1000 751.10 1.880 347 749.76 1.877 231 745.85 1.867 309
in CDCl3
liquid film
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