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

Mass
MS-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

| 1H NMR | 399.65 MHz |
| C8 H17 N O2 | 0.042 g : 0.5 ml D2O |
| 8-aminooctanoic acid | |
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Assign. Shift(ppm) |
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


8-Aminooctanoic acid(1002-57-9) Raman Atlas of Related Products
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