Product NameN-Acetyl-L-cysteine
CAS616-91-1
Molecular FormulaC5H9NO3S
Molecular Weight163.19
InChIInChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1
InChIKey PWKSKIMOESPYIA-BYPYZUCNSA-N
SmilesC(O)(=O)[C@H](CS)NC(C)=O
Mass
MS-NW-2509 N-acetyl-L-cysteine C5H9NO3S (Mass of molecular ion: 163)
Source Temperature: 190 °C Sample Temperature: 140 °C Direct, 75 eV
15.0 7.2 18.0 2.7 27.0 2.5 28.0 9.9 29.0 1.0 30.0 3.6 41.0 2.3 42.0 8.3 43.0 83.6 44.0 9.5 45.0 4.0 46.0 2.5 47.0 5.0 48.0 1.2 57.0 6.9 58.0 3.1 59.0 13.0 60.0 100.0 61.0 2.7 70.0 2.9 71.0 1.7 74.0 31.8 75.0 5.9 76.0 26.1 78.0 1.1 84.0 1.8 85.0 2.9 86.0 7.8 87.0 2.9 88.0 2.9 99.0 8.7 100.0 8.5 101.0 1.0 117.0 2.1 118.0 3.3 121.0 1.5 130.0 1.0 163.0 2.6
400 MHz in DMSO-d6
1H NMR | 399.65 MHz |
C5 H9 N O3 S | 0.039 g : 0.5 ml DMSO-d6 |
N-acetyl-L-cysteine |
Assign. Shift(ppm) |
Hz ppm Int.
3277.49 8.201 67 3269.58 8.182 69 1762.89 4.412 39 1758.19 4.400 47 1755.63 4.393 72 1750.50 4.381 72 1747.72 4.374 54 1743.02 4.362 42 1144.49 2.864 21 1131.03 2.831 38 1100.47 2.754 33 1094.06 2.738 29 971.84 2.432 27 753.45 1.886 1000
KBr disc
nujol mull
N-Acetyl-L-cysteine(616-91-1) Raman Atlas of Related Products
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