8-Aminooctanoic acid(1002-57-9) MS
Product Name8-Aminooctanoic acid
CAS1002-57-9
Molecular FormulaC8H17NO2
Molecular Weight159.23
InChIInChI=1S/C8H17NO2/c9-7-5-3-1-2-4-6-8(10)11/h1-7,9H2,(H,10,11)
InChIKey UQXNEWQGGVUVQA-UHFFFAOYSA-N
SmilesC(O)(=O)CCCCCCCN
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MassMS-NW-6132 8-aminooctanoic acid C8H17NO2 (Mass of molecular ion: 159)
Source Temperature: 160 °C Sample Temperature: 160 °C Direct, 75 eV
18.0 3.6 27.0 5.0 28.0 3.6 29.0 3.1 30.0 100.0 31.0 2.4 39.0 4.0 41.0 7.8 42.0 2.8 43.0 2.5 44.0 3.4 45.0 6.7 53.0 1.1 54.0 1.1 55.0 5.0 56.0 3.5 59.0 1.5 60.0 1.3 67.0 1.3 68.0 1.2 69.0 1.6 72.0 1.3 73.0 1.0 86.0 3.0 87.0 1.1 100.0 11.6
400 MHz in D2O
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1H NMR 399.65 MHz C8 H17 N O2 0.042 g : 0.5 ml D2O 8-aminooctanoic acid 
Assign. Shift(ppm)
A 2.988 B 2.176 C 1.660 D 1.556 E 1.36
Hz ppm Int.1201.66 3.007 569 1194.21 2.989 739 1186.52 2.969 611 877.44 2.196 515 870.00 2.177 1000 862.55 2.159 577 677.98 1.697 78 670.53 1.678 220 663.45 1.661 345 656.13 1.642 260 648.56 1.623 110 644.65 1.614 33 643.80 1.611 31 642.21 1.607 30 641.85 1.607 30 636.47 1.593 109 629.03 1.574 290 621.95 1.557 396 614.87 1.539 299 609.74 1.526 80 607.42 1.520 110 566.53 1.418 60 560.18 1.402 168 559.81 1.401 169 559.45 1.400 169 551.64 1.381 453 546.63 1.368 504 543.33 1.360 587 541.87 1.356 564 538.82 1.349 493 533.45 1.335 427 525.76 1.316 294 520.39 1.303 162 509.03 1.274 34
KBr disc
nujol mull
