Basic Orange 14(10127-02-3) MS
Product NameBasic Orange 14
CAS10127-02-3
Molecular FormulaC17H20Cl3N3Zn
Molecular Weight438.1
InChIInChI=1S/2C17H19N3.4ClH.Zn/c2*1-19(2)14-7-5-12-9-13-6-8-15(20(3)4)11-17(13)18-16(12)10-14;;;;;/h2*5-11H,1-4H3;4*1H;/q;;;;;;+2/p-2
InChIKey RAHGLSRJKRXOSY-UHFFFAOYSA-L
SmilesC12C=C(N(C)C)C=CC=1C=C1C=CC(N(C)C)=CC1=N2.C12C=C(C=CC=1C=C1C=CC(N(C)C)=CC1=N2)N(C)C.[Zn](Cl)Cl.Cl.Cl
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MassMS-NW-7514 Acridine Orange C17H19N3 HCl 1/2Cl2Zn(Mass of molecular ion: 265)
Source Temperature: 200 °C Sample Temperature: 180 °C Direct, 75 eV
15.0 1.4 35.0 2.2 36.0 13.8 38.0 4.3 42.0 2.6 44.0 1.2 63.0 1.1 75.0 1.3 76.0 1.0 88.5 1.4 89.0 1.6 89.5 1.0 96.0 1.4 96.5 1.2 97.0 1.0 102.0 2.2 102.5 1.7 103.0 3.2 104.0 2.5 110.0 7.5 110.5 3.3 111.0 1.9 116.5 1.9 117.0 1.6 117.5 1.0 123.5 4.0 124.0 2.8 124.5 5.9 125.0 2.7 125.5 1.2 131.5 11.1 132.0 8.0 132.5 8.9 133.0 1.8 140.0 1.1 150.0 1.0 151.0 1.8 152.0 1.3 164.0 2.0 165.0 1.7 166.0 2.6 167.0 1.1 176.0 1.0 177.0 4.9 178.0 4.0 179.0 3.8 180.0 2.2 191.0 1.3 192.0 1.4 193.0 2.9 194.0 1.9 195.0 1.2 205.0 2.7 206.0 4.1 207.0 4.7 208.0 3.3 209.0 6.7 210.0 1.4 219.0 2.0 220.0 2.2 221.0 7.0 222.0 10.3 223.0 8.3 224.0 1.6 233.0 1.5 234.0 5.6 235.0 3.8 236.0 6.2 237.0 3.0 238.0 1.9 248.0 5.2 249.0 5.5 250.0 20.0 251.0 14.1 252.0 2.7 263.0 1.2 264.0 19.0 265.0 100.0 266.0 20.4 267.0 2.3 281.0 1.0
DMSO-d6
KBr disc
nujol mull
