D-alpha-Amino-epsilon-caprolactam(28957-33-7) IR1
Product NameD-alpha-Amino-epsilon-caprolactam
CAS28957-33-7
Molecular FormulaC6H12N2O
Molecular Weight128.17
InChIInChI=1S/C6H12N2O/c7-5-3-1-2-4-8-6(5)9/h5H,1-4,7H2,(H,8,9)/t5-/m1/s1
InChIKey BOWUOGIPSRVRSJ-RXMQYKEDSA-N
SmilesN1CCCC[C@@H](N)C1=O
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MassMS-NW-8001 D-(+)-alpha-amino-epsilon-caprolactam C6H12N2O (Mass of molecular ion: 128)
Source Temperature: 140 °C Sample Temperature: 70 °C Direct, 75 eV
15.0 5.5 17.0 1.5 18.0 7.7 26.0 1.8 27.0 11.7 28.0 36.1 29.0 13.9 30.0 49.8 31.0 1.1 38.0 1.0 39.0 8.3 40.0 2.0 41.0 11.5 42.0 14.4 43.0 67.2 44.0 19.3 45.0 2.6 53.0 2.0 54.0 4.6 55.0 5.4 56.0 100.0 57.0 17.8 58.0 7.9 59.0 1.2 66.0 1.1 67.0 1.9 68.0 3.0 69.0 1.8 70.0 13.8 71.0 18.3 72.0 25.7 73.0 1.5 81.0 2.3 82.0 28.5 83.0 56.3 84.0 10.2 85.0 1.3 99.0 7.9 100.0 5.3 110.0 5.5 111.0 9.5 128.0 8.2 129.0 3.2
1HNMR_1
1HNMR_2
KBr disc
nujol mull
