| SpectraBase Spectrum ID |
PGnVNkJIOQ |
| Name |
Methyl 1,2,3,4-tetrahydro-1-(2'-methylpropyl)-2-(trifluoroacetyl)-9H-pyrido[3,4-B]indole-3-carboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
382.150427030 u |
| Formula |
C19H21F3N2O3 |
| InChI |
InChI=1S/C19H21F3N2O3/c1-10(2)8-14-16-12(11-6-4-5-7-13(11)23-16)9-15(17(25)27-3)24(14)18(26)19(20,21)22/h4-7,10,14-15,23H,8-9H2,1-3H3 |
| InChIKey |
ACIULDRVGRQFLQ-UHFFFAOYSA-N |
| Molecular Weight |
382.383 g/mol |
| SMILES |
C1(N(C(CC=2C=3C=CC=CC3NC12)C(=O)OC)C(C(F)(F)F)=O)CC(C)C |
![Methyl 1,2,3,4-tetrahydro-1-(2'-methylpropyl)-2-(trifluoroacetyl)-9H-pyrido[3,4-b]indole-3-carboxylate](/api/spectrum/PGnVNkJIOQ/structure.png?h=300&w=458 "Methyl 1,2,3,4-tetrahydro-1-(2'-methylpropyl)-2-(trifluoroacetyl)-9H-pyrido[3,4-b]indole-3-carboxylate")
