VANILLIN AZINE(1696-60-2) MS
Product NameVANILLIN AZINE
CAS1696-60-2
Molecular FormulaC16H16N2O4
Molecular Weight300.31
InChIInChI=1S/C16H16N2O4/c1-21-15-7-11(3-5-13(15)19)9-17-18-10-12-4-6-14(20)16(8-12)22-2/h3-10,19-20H,1-2H3
InChIKey GGQDJSIYHIRXDW-UHFFFAOYSA-N
SmilesC(=NN=CC1=CC=C(O)C(OC)=C1)C1=CC=C(O)C(OC)=C1
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MassMS-NW-7125 vanillin azine C16H16N2O4 (Mass of molecular ion: 300)
Source Temperature: 220 °C Sample Temperature: 160 °C Direct, 75 eV
15.0 1.3 27.0 1.3 28.0 1.1 38.0 1.5 39.0 7.0 41.0 2.9 50.0 3.2 51.0 9.0 52.0 14.8 53.0 3.9 55.0 3.9 62.0 1.3 63.0 5.0 64.0 2.8 65.0 12.9 66.0 2.1 67.0 2.5 76.0 2.1 77.0 5.6 78.0 3.1 79.0 6.1 80.0 5.8 81.0 3.5 90.0 2.0 91.0 1.6 92.0 2.1 93.0 4.1 94.0 1.3 95.0 1.6 104.0 1.3 105.0 2.6 106.0 6.1 107.0 4.9 108.0 8.1 109.0 4.0 118.0 1.0 119.0 1.1 120.0 2.7 121.0 4.1 122.0 3.1 123.0 7.9 124.0 1.7 133.0 1.1 134.0 7.1 135.0 6.0 136.0 2.8 137.0 2.8 141.0 1.0 148.0 1.3 149.0 5.0 150.0 14.0 151.0 4.3 152.0 1.6 162.0 5.8 163.0 1.1 168.0 1.3 169.0 2.3 170.0 1.5 175.0 1.5 176.0 1.5 177.0 50.5 178.0 5.8 185.0 1.1 186.0 1.3 196.0 1.5 197.0 3.2 198.0 1.8 207.0 1.7 211.0 3.5 212.0 1.8 213.0 2.0 214.0 1.8 215.0 1.2 224.0 1.2 225.0 2.1 226.0 1.2 227.0 2.3 228.0 1.5 229.0 1.7 230.0 1.9 239.0 1.7 240.0 1.5 241.0 2.2 242.0 1.8 243.0 1.2 253.0 1.4 255.0 1.1 256.0 3.0 257.0 3.0 258.0 19.5 259.0 3.2 267.0 1.0 269.0 2.3 270.0 1.0 271.0 1.6 272.0 11.4 273.0 16.4 274.0 2.8 283.0 2.1 284.0 6.4 285.0 6.8 286.0 1.2 299.0 32.6 300.0 100.0 301.0 18.5 302.0 2.6
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C16 H16 N2 O4 0.040 g : 0.5 ml DMSO-d6 vanillin azine 
Assign. Shift(ppm)
A 9.72 B 8.599 C 7.482 D 7.273 E 6.901 F 3.852
Hz ppm Int.3883.36 9.717 282 3436.89 8.600 371 2991.33 7.485 193 2989.50 7.481 201 2912.14 7.287 97 2910.31 7.283 98 2903.90 7.267 108 2902.07 7.262 107 2762.15 6.912 211 2754.06 6.892 208 1539.76 3.853 1000
DMSO-d6
KBr disc
nujol mull
4880 A,200 M,powder
