Phenosafranin(81-93-6) IR2
Product NamePhenosafranin
CAS81-93-6
Molecular FormulaC18H15ClN4
Molecular Weight322.8
InChIInChI=1S/C18H14N4.ClH/c19-12-6-8-15-17(10-12)22(14-4-2-1-3-5-14)18-11-13(20)7-9-16(18)21-15;/h1-11H,(H3,19,20);1H
InChIKey SOUHUMACVWVDME-UHFFFAOYSA-N
Smiles[N+]1(C2C=CC=CC=2)C2=CC(=CC=C2N=C2C=CC(N)=CC=12)N.[Cl-]
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MassMS-NW-0724 phenosafranine C18H15ClN4 (Mass of molecular ion: 322)
Source Temperature: 170 °C Sample Temperature: 180 °C Direct, 75 eV
16.0 5.5 17.0 6.6 18.0 13.4 26.0 4.8 27.0 13.9 28.0 34.6 29.0 1.9 32.0 3.0 35.0 6.6 36.0 45.0 37.0 2.1 38.0 14.4 39.0 8.7 40.0 1.7 41.0 7.5 42.0 2.1 43.0 3.9 44.0 4.2 50.0 4.3 51.0 9.8 52.0 6.6 53.0 2.3 54.0 2.2 55.0 3.9 56.0 2.0 57.0 3.8 62.0 1.8 63.0 5.6 64.0 3.7 65.0 5.6 66.0 3.4 67.0 2.7 68.0 1.5 69.0 2.6 70.0 1.5 71.0 2.0 74.0 1.3 75.0 1.7 76.0 2.5 77.0 10.8 78.0 17.3 79.0 3.6 80.0 1.9 81.0 2.1 82.0 1.4 83.0 2.2 84.0 1.1 85.0 1.4 88.0 1.0 89.0 2.1 90.0 3.5 91.0 4.8 91.5 1.4 92.0 6.5 93.0 7.3 94.0 1.2 95.0 1.4 96.0 1.2 97.0 1.8 98.0 1.6 101.0 1.2 102.0 1.9 103.0 1.8 104.0 2.0 105.0 3.8 105.5 1.1 106.0 1.3 107.0 1.5 108.0 2.5 109.0 1.0 111.0 1.1 114.0 1.2 115.0 3.2 115.5 1.0 116.0 2.0 117.0 2.8 118.0 1.3 121.0 1.2 127.0 1.4 128.0 2.4 128.5 2.6 129.0 5.0 129.5 2.5 130.0 1.6 131.0 1.0 134.0 1.0 134.5 1.6 135.0 2.4 135.5 2.0 136.0 1.0 136.5 1.5 139.0 1.1 140.0 1.8 141.0 1.2 142.0 2.3 142.5 5.7 143.0 10.4 143.5 6.4 144.0 12.5 144.5 2.3 152.0 1.1 153.0 1.0 154.0 1.2 155.0 4.0 156.0 1.9 157.0 1.0 166.0 1.5 167.0 2.2 168.0 3.6 169.0 1.5 179.0 1.4 180.0 1.8 181.0 2.1 182.0 7.9 183.0 12.5 184.0 4.1 192.0 1.1 193.0 1.1 194.0 2.8 195.0 5.3 196.0 10.8 197.0 2.0 205.0 1.1 208.0 1.4 209.0 2.7 210.0 27.4 211.0 57.3 212.0 8.9 213.0 1.0 229.0 1.4 230.0 1.0 231.0 1.9 232.0 1.0 241.0 1.2 242.0 2.6 243.0 4.1 244.0 1.7 245.0 1.0 255.0 1.0 256.0 1.5 257.0 4.3 258.0 14.0 259.0 23.3 260.0 8.2 261.0 1.4 268.0 1.6 269.0 1.1 270.0 8.1 271.0 3.3 272.0 4.8 273.0 13.7 274.0 3.7 283.0 1.4 284.0 2.3 285.0 19.2 286.0 48.3 287.0 63.9 288.0 100.0 289.0 19.9 290.0 2.5 301.0 1.7 302.0 1.8 303.0 2.2 362.0 1.8 363.0 1.0 364.0 1.2
KBr disc
nujol mull
