Serotonin hydrochloride (153-98-0) 13C NMR
Product NameSerotonin hydrochloride
CAS153-98-0
Molecular FormulaC10H13ClN2O
Molecular Weight212.68
InChIInChI=1S/C10H12N2O.ClH/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10;/h1-2,5-6,12-13H,3-4,11H2;1H
InChIKey MDIGAZPGKJFIAH-UHFFFAOYSA-N
SmilesC12C=C(C=CC=1NC=C2CCN)O.Cl
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MassMS-IW-0828 3-(2-aminoethyl)-5-indolol hydrochloride C10H12N2O HCl 1/2H2O(Mass of molecular ion: 176)
Source Temperature: 150 °C Sample Temperature: 140 °C Direct, 75 eV
17.0 1.1 18.0 5.9 28.0 1.0 30.0 5.9 36.0 9.8 38.0 3.3 57.0 1.1 63.0 1.0 65.0 2.7 71.0 1.0 77.0 1.0 89.0 1.7 90.0 1.5 91.0 5.2 117.0 4.8 118.0 4.9 128.0 1.6 130.0 1.5 133.0 1.1 145.0 2.2 146.0 100.0 147.0 67.0 148.0 6.9 159.0 1.4 176.0 27.2 177.0 3.3
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C10 H12 N2 O 0.031 g : 0.5 ml DMSO-d6 3-(2-aminoethyl)-5-indolol hydrochloride 
Assign. Shift(ppm)
A 7.167 B 7.122 C 6.881 D 6.658 E *1 3.027 F *1 2.964
Hz ppm Int.4257.34 10.653 501 3267.87 8.177 547 3267.32 8.176 548 2875.71 7.196 38 2869.12 7.180 915 2860.51 7.158 1000 2855.02 7.144 81 2854.28 7.142 81 2853.92 7.142 82 2846.41 7.123 841 2836.33 7.098 30 2750.79 6.883 905 2749.33 6.880 892 2742.00 6.862 33 2665.99 6.671 639 2664.16 6.667 602 2657.38 6.650 595 2655.55 6.645 542 1375.95 3.443 494 1210.73 3.030 594 1210.36 3.029 594 1207.98 3.023 560 1204.32 3.014 664 1191.31 2.981 713 1185.27 2.966 641
in DMSO-d6
KBr disc
nujol mull
