beta-D-Lactose(5965-66-2) 1H NMR
Product Namebeta-D-Lactose
CAS5965-66-2
Molecular FormulaC12H22O11
Molecular Weight342.3
InChIInChI=1/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/s3
InChIKey GUBGYTABKSRVRQ-OSPDPTQPNA-N
Smiles[C@@H]1([C@H](O)[C@H]([C@H](O)O[C@@H]1CO)O)O[C@H]1[C@H](O)[C@H]([C@@H](O)[C@@H](CO)O1)O |&1:0,1,3,4,7,12,13,15,16,18,r|
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MassMS-IW-4088 beta-D-(+)-lactose C12H22O11 (Mass of molecular ion: 342)
Source Temperature: 190 °C Sample Temperature: 200 °C Direct, 75 eV
14.0 1.5 15.0 10.1 17.0 7.2 18.0 38.5 19.0 10.6 26.0 2.2 27.0 10.4 28.0 11.7 29.0 32.0 30.0 5.9 31.0 54.7 32.0 8.3 39.0 8.3 40.0 3.4 41.0 17.4 42.0 16.0 43.0 67.6 44.0 23.2 45.0 23.0 46.0 3.0 47.0 3.9 49.0 4.7 53.0 3.1 54.0 2.8 55.0 14.6 56.0 12.7 57.0 48.1 58.0 21.1 59.0 5.8 60.0 60.7 61.0 49.0 62.0 2.3 67.0 1.5 68.0 6.3 69.0 21.1 70.0 6.6 71.0 37.1 72.0 10.4 73.0 100.0 74.0 11.5 75.0 2.1 77.0 6.1 80.0 1.0 81.0 4.0 82.0 1.2 83.0 2.8 84.0 3.6 85.0 41.9 86.0 12.4 87.0 9.8 88.0 1.1 89.0 5.5 90.0 2.4 91.0 21.7 95.0 2.1 96.0 3.4 97.0 18.9 98.0 7.2 99.0 4.4 100.0 1.0 101.0 10.4 102.0 9.6 103.0 23.7 104.0 2.0 109.0 1.9 110.0 1.4 111.0 1.1 113.0 6.3 114.0 2.9 115.0 6.2 116.0 3.6 119.0 4.1 126.0 4.3 127.0 7.4 128.0 2.5 131.0 10.1 132.0 2.0 133.0 4.7 134.0 1.1 144.0 5.3 145.0 10.0 146.0 1.3 149.0 2.0 162.0 1.0 163.0 7.2 173.0 2.1 191.0 3.1
in D2O
