产品名称:丹酰胺
CAS:1431-39-6
分子式:C12H14N2O2S
分子量: 250.32
InChI:InChI=1S/C12H14N2O2S/c1-14(2)11-7-3-6-10-9(11)5-4-8-12(10)17(13,15)16/h3-8H,1-2H3,(H2,13,15,16)
InChIKey: TYNBFJJKZPTRKS-UHFFFAOYSA-N
Smiles:C1(S(N)(=O)=O)=C2C(C(N(C)C)=CC=C2)=CC=C1
MS
1HNMR
13CNMR
IR1
IR2
Raman
Mass
MS-NW-2450 5-dimethylamino-1-naphthalenesulfonamide C12H14N2O2S (Mass of molecular ion: 250)
Source Temperature: 220 °C Sample Temperature: 140 °C Direct, 75 eV
15.0 2.8 17.0 1.0 18.0 4.8 28.0 3.0 30.0 1.0 39.0 2.5 42.0 9.5 44.0 6.1 50.0 2.5 51.0 4.2 52.0 1.1 55.0 1.0 62.0 2.1 63.0 8.0 63.5 1.4 64.0 4.8 65.0 1.1 70.0 1.4 70.5 1.3 71.5 2.5 72.0 1.7 74.0 4.0 75.0 5.3 76.0 4.1 76.5 1.3 77.0 7.4 77.5 2.2 78.0 1.4 83.5 6.0 84.0 2.4 84.5 4.3 85.0 3.6 86.0 1.5 87.0 2.8 88.0 2.0 89.0 2.3 92.0 1.4 98.0 1.2 99.0 1.9 100.0 1.8 101.0 3.4 102.0 2.6 103.0 2.1 113.0 3.5 114.0 4.1 115.0 11.7 116.0 3.6 117.0 1.9 125.0 3.6 126.0 10.9 127.0 25.2 128.0 10.4 129.0 4.8 130.0 7.7 131.0 4.6 139.0 2.0 140.0 4.5 141.0 3.3 142.0 4.8 143.0 14.4 144.0 5.7 145.0 1.0 152.0 1.6 153.0 4.9 154.0 29.3 155.0 14.7 156.0 3.1 157.0 2.0 158.0 2.7 159.0 1.9 160.0 1.0 166.0 1.0 167.0 6.9 168.0 82.6 169.0 47.3 170.0 21.7 171.0 29.3 172.0 3.9 174.0 2.6 183.0 1.3 184.0 5.3 185.0 14.3 186.0 4.8 203.0 1.2 207.0 2.2 249.0 14.7 250.0 100.0 251.0 15.1 252.0 5.8
400 MHz in DMSO-d6
Assign. Shift(ppm) A 8.428 B 8.320 C 8.152 D 7.63 E 7.617 F 7.590 G 7.242 J 2.813 ASSIGNED BY H-H AND C-H COSY.
Hz ppm Int.
3373.05 8.441 63 3364.62 8.419 68 3329.59 8.332 71 3320.92 8.310 77 3262.33 8.163 67 3261.23 8.161 73 3255.13 8.145 78 3253.91 8.142 77 3051.15 7.635 194 3045.04 7.620 80 3043.82 7.617 82 3041.63 7.611 68 3036.50 7.598 68 3034.06 7.592 76 3032.96 7.590 71 3025.39 7.571 64 2897.58 7.251 78 2890.63 7.233 67 2890.01 7.232 68 1124.27 2.814 1000
in DMSO-d6
KBr disc
nujol mull
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