SKATOLE スカトール

Name:	Skatole;3-Methylindole
Synonyms:	Skatole;3-Methylindole;1H-Indole, 3-methyl-;3-METHYLINDOLE;3-MI;3-Methyl-1H-indole;3-Methyl-4,5-benzopyrrole;83-34-1;AI3-24372;CCRIS 8961;EINECS 201-471-7;FEMA No. 3019;HSDB 3511;Indole, 3-methyl-;NSC 122024;Scatole;Skatol;beta-Methylindole;3-methyl-1H-indole;HMDB00466;;b-Methylindole;methyl-3-indole
Molecular Weight:	131.17446
Formula:	C9H9N
CAS:	83-34-1

1. 1D-1H:  NAME=expnmr_00539, EXPNO=1, PROCNO=1 ID [PPM] Intensity 1 7.590 11.105 2 7.574 12.000 3 7.334 10.482 4 7.319 13.010 5 7.201 6.126 6 7.185 11.592 7 7.171 7.532 8 7.135 8.993 9 7.119 12.705 10 7.105 5.835 11 6.947 15.242 12 2.333 100.501 2. 2D-[1H,1H]-TOCSY: 3. 1D-13C:  NAME=expnmr_00539, EXPNO=3, PROCNO=1 ID [PPM] Intensity 1 136.232 11.101 2 128.260 16.695 3 121.854 44.050 4 121.561 27.046 5 121.533 30.391 6 119.089 42.257 7 118.822 61.450 8 111.711 13.528 9 110.929 52.474 10 9.683 24.650 11 9.657 17.809 4. 1D-13C DEPT90:  NAME=expnmr_00539, EXPNO=4, PROCNO=1 ID [PPM] Intensity 1 121.844 1 2 121.542 1 3 119.09 1 4 118.808 1 5 110.916 1 5. 1D-13C DEPT135:  NAME=expnmr_00539, EXPNO=5, PROCNO=1 ID [PPM] Intensity 1 121.844 1 2 121.542 1 3 119.09 1 4 118.808 1 5 110.916 1 6 9.652 1 6. 2D-[1H,13C]-HSQC:  NAME=expnmr_00539, EXPNO=6, PROCNO=1 ID [PPM_1] [PPM_2] 1 7.186 121.477 2 6.944 121.212 3 7.579 118.565 4 7.115 118.548 5 7.325 110.554 6 2.333 9.575 7. 2D-[1H,13C]-HMBC:   8. 2D-[1H,1H]-COSY: