o-Tolyl biguanide(93-69-6) IR1
Product Nameo-Tolyl biguanide
CAS93-69-6
Molecular FormulaC9H13N5
Molecular Weight191.23
InChIInChI=1S/C9H13N5/c1-6-4-2-3-5-7(6)13-9(12)14-8(10)11/h2-5H,1H3,(H6,10,11,12,13,14)
InChIKey SQZCAOHYQSOZCE-UHFFFAOYSA-N
SmilesC(=N)(NC1=CC=CC=C1C)NC(=N)N
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Assign. Shift(ppm)
A 7.114 B 7.051 C 6.802 D 6.741 E *1 6. F *1 4.78 G *1 3.46 J 2.080Spectral Code: 1H NMR : 400 MHz in DMSO-d6
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ppm Int. Assign.
159.39 764 1 156.88 408 2 149.13 110 3 129.97 1000 4 129.95 690 5 126.30 925 6 122.27 628 7 * 120.91 527 8 * 17.96 895 9Spectral Code: 13C NMR : in DMSO-d6
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Spectral Code: IR : KBr disc
