2,4-DIAMINO-6-ISOPROPOXY-1,3,5-TRIAZINE(24860-40-0) IR1
Product Name2,4-DIAMINO-6-ISOPROPOXY-1,3,5-TRIAZINE
CAS24860-40-0
Molecular FormulaC6H11N5O
Molecular Weight169.18
InChIInChI=1S/C6H11N5O/c1-3(2)12-6-10-4(7)9-5(8)11-6/h3H,1-2H3,(H4,7,8,9,10,11)
InChIKey ATCQNYLEZRQALQ-UHFFFAOYSA-N
SmilesN1=C(OC(C)C)N=C(N)N=C1N
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MassMS-IW-9158 6-isopropoxy-1,3,5-triazine-2,4-diamine C6H11N5O (Mass of molecular ion: 169)
Source Temperature: 170 °C Sample Temperature: 120 °C Direct, 75 eV
17.0 1.0 18.0 5.4 27.0 5.0 28.0 5.3 39.0 4.0 40.0 1.0 41.0 9.0 42.0 7.7 43.0 46.3 44.0 4.4 56.0 1.3 58.0 2.1 59.0 1.1 68.0 13.0 69.0 25.5 70.0 1.5 84.0 3.4 85.0 14.4 86.0 17.3 99.0 6.4 110.0 4.5 111.0 100.0 112.0 7.2 127.0 8.3 128.0 35.4 129.0 1.9 154.0 3.8 169.0 13.7 170.0 1.4
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C6 H11 N5 O 0.039 g : 0.5 ml DMSO-d6 6-isopropoxy-1,3,5-triazine-2,4-diamine 
Assign. Shift(ppm)
A 6.59 B 5.121 C 1.222
Hz ppm Int.2635.50 6.595 431 2059.20 5.153 29 2052.98 5.137 77 2046.75 5.122 106 2040.53 5.106 77 2034.30 5.091 29 501.10 1.254 24 491.33 1.230 1000 485.11 1.214 948
in DMSO-d6
KBr disc
nujol mull
