Product Name6-Aminocaproic acid
CAS60-32-2
Molecular FormulaC6H13NO2
Molecular Weight131.17
InChIInChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)
InChIKey SLXKOJJOQWFEFD-UHFFFAOYSA-N
SmilesC(O)(=O)CCCCCN

Mass
MS-NW-1638 6-aminohexanoic acid C6H13NO2 (Mass of molecular ion: 131)
Source Temperature: 180 °C Sample Temperature: 140 °C Direct, 75 eV
18.0 2.0
27.0 2.9
28.0 3.6
29.0 1.7
30.0 100.0
31.0 1.8
39.0 2.0
41.0 3.5
42.0 1.7
43.0 1.4
44.0 1.8
45.0 5.6
55.0 2.0
56.0 1.7
59.0 1.5
72.0 3.6
400 MHz in D2O

| 1H NMR | 399.65 MHz |
| C6 H13 N O2 | 0.040 g : 0.5 ml D2O |
| 6-aminohexanoic acid | |
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Assign. Shift(ppm) |
Hz ppm Int.
1207.76 3.023 533
1200.32 3.004 671
1192.75 2.985 563
887.57 2.221 486
880.25 2.203 1000
872.80 2.184 542
687.62 1.721 111
680.05 1.702 245
672.36 1.683 388
664.79 1.664 276
657.23 1.645 146
653.32 1.635 119
646.00 1.617 299
638.43 1.598 391
630.74 1.579 323
623.29 1.560 137
567.63 1.421 121
562.50 1.408 158
560.06 1.402 281
555.54 1.391 139
552.61 1.383 378
547.12 1.369 133
544.19 1.362 185
537.72 1.346 63
536.99 1.344 67
KBr disc

nujol mull

4880 A,200 M,powder

6-Aminocaproic acid(60-32-2) Raman Atlas of Related Products
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