N-ACETYL-5-HYDROXYTRYPTAMINE(1210-83-9) IR2
Product NameN-ACETYL-5-HYDROXYTRYPTAMINE
CAS1210-83-9
Molecular FormulaC12H14N2O2
Molecular Weight218.25
InChIInChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)
InChIKey MVAWJSIDNICKHF-UHFFFAOYSA-N
SmilesC(NCCC1C2=C(NC=1)C=CC(O)=C2)(=O)C
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MassMS-IW-2418 N-acetyl-5-hydroxytryptamine C12H14N2O2 (Mass of molecular ion: 218)
Source Temperature: 130 °C Sample Temperature: 100 °C Direct, 75 eV
28.0 1.7 30.0 4.9 39.0 1.1 43.0 4.6 51.0 1.0 63.0 1.4 65.0 2.9 77.0 1.4 89.0 2.2 90.0 1.8 91.0 4.8 117.0 4.9 118.0 3.2 128.0 1.3 130.0 2.3 131.0 1.8 133.0 1.4 145.0 3.7 146.0 93.5 147.0 10.4 148.0 1.2 158.0 3.5 159.0 100.0 160.0 11.9 161.0 1.0 175.0 2.4 218.0 28.7 219.0 4.0
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C12 H14 N2 O2 0.038 g : 0.5 ml DMSO-d6 N-acetyl-5-hydroxytryptamine 
Assign. Shift(ppm)
A 10.49 B 8.62 C 7.94 D 7.130 E 7.041 F 6.835 G 6.604 J 3.287 K 2.723 L 1.820 J(A,E)=2.4HZ J(C,J)=5.2HZ J(D,G)=8.6HZ J(F,G)=2.4HZ
Hz ppm Int.4191.21 10.488 86 4189.93 10.485 88 3443.35 8.616 420 3177.57 7.951 35 3172.08 7.938 67 3166.58 7.924 37 2854.10 7.142 163 2845.49 7.120 179 2815.27 7.045 139 2812.89 7.039 140 2733.03 6.839 156 2730.65 6.833 163 2644.74 6.618 103 2642.36 6.612 99 2636.13 6.597 97 2633.75 6.591 95 1324.66 3.315 51 1317.70 3.298 98 1311.47 3.282 95 1310.19 3.279 97 1303.96 3.263 60 1095.89 2.743 101 1088.19 2.723 148 1080.87 2.705 91 727.72 1.821 1000
in DMSO-d6
KBr disc
nujol mull
