Oxethazaine(126-27-2) MS
Product NameOxethazaine
CAS126-27-2
Molecular FormulaC28H41N3O3
Molecular Weight467.64
InChIInChI=1S/C28H41N3O3/c1-27(2,19-23-13-9-7-10-14-23)29(5)25(33)21-31(17-18-32)22-26(34)30(6)28(3,4)20-24-15-11-8-12-16-24/h7-16,32H,17-22H2,1-6H3
InChIKey FTLDJPRFCGDUFH-UHFFFAOYSA-N
SmilesN(CC(N(C(C)(C)CC1=CC=CC=C1)C)=O)(CC(N(C(C)(C)CC1=CC=CC=C1)C)=O)CCO
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MassMS-IW-6352 oxethazaine C28H41N3O3 (Mass of molecular ion: 467)
Source Temperature: 180 °C Sample Temperature: 160 °C Direct, 75 eV
18.0 1.9 39.0 1.4 41.0 1.6 42.0 3.2 43.0 1.3 44.0 5.9 51.0 1.0 55.0 2.3 56.0 5.8 57.0 1.1 58.0 1.2 65.0 2.5 70.0 1.2 71.0 1.2 72.0 10.9 74.0 9.9 84.0 1.5 86.0 11.3 87.0 1.3 91.0 20.2 92.0 2.1 93.0 1.3 101.0 2.8 105.0 1.5 113.0 2.7 114.0 2.7 115.0 8.0 116.0 2.1 117.0 20.2 118.0 2.3 125.0 1.1 127.0 12.5 128.0 1.8 129.0 1.6 131.0 5.2 132.0 16.5 133.0 6.9 142.5 1.7 143.0 3.7 145.0 100.0 146.0 7.6 155.0 1.4 172.0 2.5 184.0 6.8 185.0 1.5 226.0 1.4 259.0 3.2 277.0 32.1 278.0 6.0 286.0 1.0 304.0 6.9 305.0 2.6 316.0 5.9 317.0 3.6 318.0 1.1 358.0 2.1 376.0 1.0 449.0 8.1 450.0 2.6 467.0 2.3 468.0 1.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C28 H41 N3 O3 0.036 g : 0.5 ml CDCl3 oxethazaine 
Assign. Shift(ppm)
A 7.24 B 7.21 C 7.125 D 5.34 E 3.61 F 3.211 G 3.007 J 2.499 K 1.445 ASSIGNED BY SHIFT-REAGENT.
Hz ppm Int.2903.32 7.265 36 2896.85 7.249 124 2895.39 7.245 63 2891.11 7.235 65 2889.65 7.231 143 2886.11 7.222 94 2884.52 7.218 59 2879.39 7.205 65 2852.05 7.137 115 2850.22 7.132 128 2848.27 7.127 38 2843.99 7.117 106 2842.65 7.113 80 1442.02 3.609 385 1283.33 3.212 300 1206.79 3.020 40 1201.78 3.008 53 1196.90 2.995 39 998.66 2.499 742 577.51 1.446 1000
in CDCl3
KBr disc
nujol mull
