3-甲基-2-(甲硫基)苯并噻唑鎓对甲苯磺酸盐
产品名称
3-甲基-2-(甲硫基)苯并噻唑鎓对甲苯磺酸盐
CAS号55514-14-2
分子式C16H17NO3S3
分子量367.50608
InChIInChI=1S/C9H10NS2.C7H8O3S/c1-10-7-5-3-4-6-8(7)12-9(10)11-2;1-6-2-4-7(5-3-6)11(8,9)10/h3-6H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChIKeySGABZOJLSUJGFH-UHFFFAOYSA-M
SmilesS1C2=CC=CC=C2[N+](C)=C1SC.C1(S([O-])(=O)=O)=CC=C(C)C=C1
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Assign. Shift(ppm)
A 8.380
B 8.175
C 7.818
D 7.713
E 7.484
F 7.101
G 4.087
J 3.099
K 2.271
Spectral Code: 1H NMR : 400 MHz in DMSO-d6
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Spectral Code: IR : KBr disc
