Product NameAntioxidant 1076
CAS2082-79-3
Molecular FormulaC35H62O3
Molecular Weight530.86
InChIInChI=1S/C35H62O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-38-32(36)25-24-29-27-30(34(2,3)4)33(37)31(28-29)35(5,6)7/h27-28,37H,8-26H2,1-7H3
InChIKey SSDSCDGVMJFTEQ-UHFFFAOYSA-N
SmilesC1(CCC(OCCCCCCCCCCCCCCCCCC)=O)=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C1
Mass
MS-IW-6347 octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate C35H62O3 (Mass of molecular ion: 530)
Source Temperature: 180 °C Sample Temperature: 170 °C Direct, 75 eV
17.0 1.1 18.0 5.5 27.0 1.6 28.0 1.5 29.0 4.7 39.0 3.1 41.0 18.2 42.0 2.5 43.0 22.2 53.0 1.1 54.0 1.5 55.0 23.2 56.0 10.7 57.0 56.7 58.0 2.6 67.0 2.9 68.0 2.0 69.0 17.5 70.0 6.6 71.0 11.9 81.0 2.3 82.0 3.0 83.0 15.3 84.0 4.6 85.0 6.9 91.0 1.4 95.0 1.7 96.0 1.9 97.0 13.2 98.0 3.1 99.0 1.5 105.0 1.0 107.0 2.3 110.0 1.0 111.0 6.9 112.0 2.1 119.0 1.1 120.0 1.0 121.0 1.4 125.0 3.3 126.0 1.5 129.0 1.2 131.0 1.0 133.0 1.4 139.0 1.4 143.0 1.1 145.0 1.2 147.0 14.8 148.0 2.4 149.0 8.5 150.0 1.4 159.0 1.2 161.0 7.0 162.0 1.1 163.0 6.1 167.0 4.1 175.0 1.9 176.0 1.7 177.0 1.2 179.0 2.3 185.0 1.6 187.0 3.2 189.0 10.1 190.0 1.4 191.0 1.9 201.0 1.5 203.0 11.8 204.0 2.3 205.0 5.0 206.0 1.4 207.0 4.5 217.0 5.6 218.0 1.3 219.0 30.9 220.0 5.3 221.0 2.0 222.0 1.8 232.0 7.0 233.0 3.0 235.0 1.3 245.0 2.5 252.0 2.0 260.0 1.1 261.0 1.1 263.0 5.0 277.0 2.0 278.0 7.7 279.0 1.4 459.0 1.9 474.0 3.7 475.0 1.3 515.0 48.9 516.0 18.4 517.0 3.3 530.0 100.0 531.0 38.4 532.0 8.0
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C35 H62 O3 | 0.039 g : 0.5 ml CDCl3 |
octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate |
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Assign. Shift(ppm) |
Hz ppm Int.
2795.78 6.996 109 2026.98 5.072 70 1633.67 4.088 26 1626.83 4.071 57 1620.00 4.054 28 1147.46 2.872 27 1138.92 2.850 24 1044.68 2.614 29 1036.25 2.593 31 1028.69 2.574 22 570.68 1.428 1000 519.78 1.301 39 512.33 1.282 37 501.83 1.256 657 358.28 0.897 26 351.56 0.880 85 344.48 0.862 32
in CDCl3
KBr disc
nujol mull
QINGDAO JADE NEW MATERIAL TECNOLOGY CO.,LTD
Qingdao Truelight functional Material Technology Co., Ltd.
Hefei TNJ Chemical Industry Co.,Ltd.
Amadis Chemical Company Limited
Hefei TNJ Chemical Industry Co.,Ltd.
Chemson Industrial (Shanghai) Co., Ltd.
Shanghai Zheyan Biotech Co., Ltd.
Antioxidant 1076(2082-79-3) 13C NMR Atlas of Related Products
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