| SpectraBase Spectrum ID |
Dsq4XSuqLZD |
| Name |
Trans-(1S,3R)-methyl 1-isopropyl-2,3,4,9-tetrahydro-1H-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 |
272.152477890 u |
| Formula |
C16H20N2O2 |
| InChI |
InChI=1S/C16H20N2O2/c1-9(2)14-15-11(8-13(18-14)16(19)20-3)10-6-4-5-7-12(10)17-15/h4-7,9,13-14,17-18H,8H2,1-3H3/t13-,14+/m1/s1 |
| InChIKey |
JYDHUPQJWUFVGK-KGLIPLIRSA-N |
| Molecular Weight |
272.348 g/mol |
| SMILES |
C12=C(C=3C=CC=CC3N2)C[C@@](N[C@]1(C(C)C)[H])(C(=O)OC)[H] |
![trans-(1S,3R)-Methyl 1-isopropyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate](/api/spectrum/Dsq4XSuqLZD/structure.png?h=300&w=458 "trans-(1S,3R)-Methyl 1-isopropyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate")
