产品名称:黄樟素
CAS:94-59-7
分子式:C10H10O2
分子量: 162.19
InChI:InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2
InChIKey: ZMQAAUBTXCXRIC-UHFFFAOYSA-N
Smiles:O1C2=CC=C(CC=C)C=C2OC1
MS
1HNMR
13CNMR
IR1
IR2
Raman
Mass
MS-NW-0809 safrole C10H10O2 (Mass of molecular ion: 162)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 2.6 28.0 1.4 38.0 2.1 39.0 8.1 41.0 1.6 50.0 6.8 51.0 19.1 52.0 4.6 53.0 2.5 61.0 1.0 62.0 3.5 63.0 8.0 64.0 1.7 65.0 4.1 66.0 1.1 67.0 1.0 74.0 2.6 75.0 2.9 76.0 4.4 77.0 27.1 78.0 15.6 79.0 5.3 80.0 1.4 80.5 1.0 81.0 1.3 89.0 2.0 91.0 6.3 92.0 1.5 93.0 1.2 102.0 5.2 103.0 27.1 104.0 39.0 105.0 10.2 106.0 1.6 115.0 1.6 119.0 2.9 121.0 1.3 131.0 34.8 132.0 12.9 133.0 3.1 134.0 1.6 135.0 30.8 136.0 2.8 147.0 1.0 161.0 26.3 162.0 100.0 163.0 11.1 164.0 1.0
90 MHz in CDCl3
Assign. Shift(ppm) A 6.53 to 6.80 B 5.69 to 6.16 C 5.889 D 5.18 to 4.91 E 3.283
Hz ppm Int.
607.44 6.783 40 606.56 6.773 39 599.81 6.698 129 599.00 6.689 225 596.69 6.663 209 596.13 6.657 218 595.63 6.651 210 593.94 6.632 59 544.19 6.077 42 534.81 5.972 34 527.38 5.889 1000 524.00 5.851 42 517.38 5.777 62 510.88 5.705 39 461.44 5.153 41 460.88 5.147 54 459.38 5.130 99 457.75 5.112 79 456.38 5.096 97 455.13 5.082 56 454.31 5.073 35 446.94 4.991 41 445.63 4.976 57 444.88 4.968 69 444.00 4.958 74 442.50 4.941 42 442.00 4.936 39 298.63 3.335 67 297.38 3.321 115 296.00 3.306 72 292.06 3.262 65 290.75 3.247 109 289.38 3.232 67
in CDCl3
CCl4 solution
liquid film
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黄樟素(94-59-7)核磁图(13CNMR)相关产品图谱