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61-73-4

亚甲兰(61-73-4)质谱(MS)

产品名称:亚甲兰

CAS:61-73-4

分子式:C16H18ClN3S

分子量: 319.85

InChI:InChI=1S/C16H18N3S.ClH/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;/h5-10H,1-4H3;1H/q+1;/p-1

InChIKey: CXKWCBBOMKCUKX-UHFFFAOYSA-M

Smiles:C12C=C(C=CC=1N=C1C=C/C(=[N+](\C)/C)/C=C1S2)N(C)C.[Cl-]

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        Assign.     Shift(ppm)
    A 7.837 B 7.44 C 7.44 D 3.349 Assigned with HMQC and HMBC.
    Spectral Code: 1H NMR : in DMSO-d6

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           ppm   Int.  Assign.
    153.67 642 1 137.64 685 2 134.82 506 3 133.35 516 4 118.83 610 5 106.63 662 6 40.95 1000 7 Assigned with HMQC and HMBC.
    Spectral Code: 13C NMR : in DMSO-d6

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