L-Penicillamine(1113-41-3) MS
Product NameL-Penicillamine
CAS1113-41-3
Molecular FormulaC5H11NO2S
Molecular Weight149.21
InChIInChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m1/s1
InChIKey VVNCNSJFMMFHPL-GSVOUGTGSA-N
SmilesC(O)(=O)[C@H](C(S)(C)C)N
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MassMS-NW-6884 L-(+)-penicillamine C5H11NO2S (Mass of molecular ion: 149)
Source Temperature: 220 °C Sample Temperature: 130 °C Direct, 75 eV
18.0 3.0 27.0 3.8 28.0 15.8 29.0 6.0 30.0 5.7 32.0 1.8 33.0 2.1 34.0 5.3 38.0 1.0 39.0 6.2 41.0 23.9 42.0 3.6 43.0 9.6 44.0 8.6 45.0 3.1 46.0 2.5 47.0 5.7 53.0 2.6 54.0 2.3 55.0 2.0 56.0 12.0 57.0 13.4 59.0 4.6 70.0 14.3 71.0 9.5 72.0 2.8 74.0 5.0 75.0 100.0 76.0 3.5 77.0 2.4 87.0 4.7 88.0 1.0 98.0 1.8 104.0 4.8
400 MHz in D2O
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1H NMR 399.65 MHz C5 H11 N O2 S 0.041 g : 0.5 ml D2O L-(+)-penicillamine 
Assign. Shift(ppm)
A 3.705 B *1 1.574 C *1 1.489 SOLVENT PEAK REMOVED
Hz ppm Int.1480.71 3.706 501 629.03 1.574 996 595.34 1.490 1000
in D2O
KBr disc
nujol mull
