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Product NameMETHYLAMINOACETONITRILE SULFATE
CAS33986-15-1
Molecular FormulaC3H8N2O4S
Molecular Weight168.17
InChIInChI=1S/C3H6N2.H2O4S/c1-5-3-2-4;1-5(2,3)4/h5H,3H2,1H3;(H2,1,2,3,4)
InChIKey SEBZVAFMXLJJNO-UHFFFAOYSA-N
SmilesS(=O)(O)(O)=O.C(NC)C#N
1HNMR
IR1
IR2
parameter in D2O
Parameter ppm Hz D(A) 4.85 D(B) 4.307 D(C) 2.886
Hz ppm Int.
1455.00 4.850 61 1292.11 4.307 667 865.81 2.886 1000
KBr disc
nujol mull
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