2-Nitrophenyl-beta-D-galactopyranoside(369-07-3) MS
Product Name2-Nitrophenyl-beta-D-galactopyranoside
CAS369-07-3
Molecular FormulaC12H15NO8
Molecular Weight301.25
InChIInChI=1/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-4-2-1-3-6(7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9+,10+,11-,12-/s3
InChIKey KUWPCJHYPSUOFW-IDEGKBHYNA-N
SmilesO(C1C=CC=CC=1N(=O)=O)[C@H]1[C@@H]([C@@H](O)[C@@H](O)[C@@H](CO)O1)O |&1:10,11,12,14,16,r|
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MassMS-NW-2266 o-nitrophenyl beta-D-galactopyranoside C12H15NO8 (Mass of molecular ion: 301)
Source Temperature: 230 °C Sample Temperature: 190 °C Direct, 75 eV
14.0 2.9 15.0 13.5 17.0 3.9 18.0 18.1 19.0 13.0 25.0 1.0 26.0 6.7 27.0 21.4 28.0 12.8 29.0 38.4 30.0 15.0 31.0 34.4 32.0 2.9 37.0 4.5 38.0 11.7 39.0 44.1 40.0 3.8 41.0 11.4 42.0 14.0 43.0 36.4 44.0 14.9 45.0 21.8 46.0 1.0 47.0 4.5 49.0 1.3 50.0 5.4 51.0 10.0 52.0 5.6 53.0 11.9 54.0 3.0 55.0 19.1 56.0 13.1 57.0 36.7 58.0 4.5 59.0 2.8 60.0 49.8 61.0 17.8 62.0 5.9 63.0 24.6 64.0 23.1 65.0 43.2 66.0 4.3 67.0 1.5 68.0 3.0 69.0 14.3 70.0 10.2 71.0 20.0 72.0 11.0 73.0 64.3 74.0 11.5 75.0 3.0 76.0 1.4 77.0 2.1 78.0 7.6 79.0 1.7 80.0 3.6 81.0 23.5 82.0 1.6 83.0 1.1 84.0 2.1 85.0 16.1 86.0 5.6 87.0 8.6 88.0 1.4 89.0 4.3 90.0 3.5 91.0 23.0 92.0 10.0 93.0 13.1 94.0 7.0 95.0 2.4 96.0 2.1 97.0 8.8 98.0 5.9 99.0 2.5 101.0 4.5 102.0 3.8 103.0 4.0 106.0 6.0 109.0 25.1 110.0 2.0 113.0 3.5 114.0 2.5 115.0 3.2 116.0 1.5 119.0 1.3 122.0 10.1 123.0 7.7 124.0 1.1 127.0 2.4 131.0 2.1 132.0 1.2 133.0 2.1 139.0 100.0 140.0 8.0 144.0 4.8 145.0 3.2
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C12 H15 N O8 0.029 g : 0.5 ml DMSO-d6 o-nitrophenyl beta-D-galactopyranoside 
Assign. Shift(ppm)
A 7.846 B 7.632 C 7.428 D 7.174 E *1 5.18 F 5.043 G *1 4.93 J 4.70 K *1 4.62 L 3.711 M 3.648 N 3.57 P 3.50 Q 3.42
Hz ppm Int.3140.75 7.859 578 3139.16 7.855 614 3132.69 7.839 636 3131.10 7.835 632 3060.06 7.657 254 3058.47 7.653 258 3051.27 7.635 525 3050.05 7.632 412 3044.19 7.618 355 3042.48 7.613 334 2972.41 7.438 677 2968.38 7.428 92 2964.36 7.418 560 2875.24 7.195 362 2874.27 7.192 377 2866.94 7.174 651 2862.92 7.164 72 2859.74 7.156 328 2858.89 7.154 328 2072.75 5.187 1000 2067.50 5.174 1000 2019.53 5.054 785 2011.96 5.035 806 1972.29 4.936 913 1966.43 4.921 929 1881.96 4.710 422 1876.46 4.696 967 1870.97 4.682 449 1849.98 4.630 820 1845.58 4.618 815 1486.69 3.720 375 1483.03 3.711 571 1479.37 3.702 372 1464.23 3.664 241 1458.01 3.649 540 1452.03 3.634 376 1447.14 3.622 60 1446.53 3.620 60 1442.75 3.611 201 1437.50 3.597 246 1433.35 3.587 454 1427.86 3.573 536 1425.78 3.568 369 1422.24 3.559 498 1420.65 3.555 398 1416.75 3.545 549 1411.13 3.531 325 1408.81 3.526 359 1403.20 3.512 414 1396.85 3.496 327 1392.33 3.484 207 1388.18 3.474 59 1385.86 3.468 128 1374.76 3.440 289 1371.58 3.432 275 1368.90 3.426 306 1365.48 3.417 424 1362.06 3.409 243 1359.38 3.402 253 1355.96 3.393 323
KBr disc
nujol mull
4880 A,200 M,powder
