Tryptophol(526-55-6) MS
Product NameTryptophol
CAS526-55-6
Molecular FormulaC10H11NO
Molecular Weight161.2
InChIInChI=1S/C10H11NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-12H,5-6H2
InChIKey MBBOMCVGYCRMEA-UHFFFAOYSA-N
SmilesN1C2=C(C=CC=C2)C(CCO)=C1
-
MassMS-NW-1953 3-indoleethanol C10H11NO (Mass of molecular ion: 161)
Source Temperature: 170 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 1.8 39.0 1.1 50.0 1.0 51.0 2.1 63.0 1.2 75.0 1.0 76.0 1.2 77.0 7.3 102.0 2.8 103.0 6.1 115.0 1.7 117.0 1.3 128.0 1.7 129.0 2.8 130.0 100.0 131.0 10.4 143.0 2.5 161.0 29.3 162.0 3.4
90 MHz in CDCl3
-
1H NMR 89.56 MHz C10 H11 N O 0.040 g : 0.5 ml CDCl3 3-indoleethanol 
Assign. Shift(ppm)
A 8.1 B 7.569 C 7.27 D 7.18 E 7.10 F 6.899 G 3.833 J 2.964 K 1.90
Hz ppm Int.725.50 8.101 76 684.00 7.638 106 683.19 7.629 170 682.31 7.619 162 681.44 7.609 106 679.38 7.586 106 678.75 7.579 103 677.00 7.560 212 676.38 7.553 142 674.94 7.537 171 674.19 7.528 251 673.38 7.519 164 671.19 7.495 50 670.56 7.488 46 657.81 7.345 60 656.88 7.335 58 654.38 7.307 122 653.69 7.299 105 652.00 7.281 161 649.38 7.251 361 647.81 7.234 732 646.88 7.223 454 645.44 7.207 236 643.63 7.187 590 642.56 7.175 262 641.56 7.164 925 637.63 7.120 384 634.50 7.085 401 632.00 7.057 268 628.31 7.016 105 625.88 6.989 61 619.13 6.914 411 618.31 6.904 277 616.75 6.887 404 350.31 3.912 416 348.00 3.886 37 343.63 3.837 1000 337.56 3.770 614 271.56 3.033 403 267.94 2.992 44 265.69 2.967 631 264.94 2.959 760 260.88 2.913 39 258.75 2.890 311 170.44 1.904 402 165.00 1.843 30
in CDCl3
CCl4 solution
KBr disc
