| SpectraBase Spectrum ID |
9pUA3yPMEOn |
| Name |
(R,E)-Methyl-2-benzyl-1-(4-methoxy-2,4-dioxobutylidene)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate |
| Appearance |
Light yellow oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H24N2O5 |
| InChI |
InChI=1S/C25H24N2O5/c1-31-23(29)13-17(28)12-21-24-19(18-10-6-7-11-20(18)26-24)14-22(25(30)32-2)27(21)15-16-8-4-3-5-9-16/h3-12,22,26H,13-15H2,1-2H3/b21-12+/t22-/m1/s1 |
| InChIKey |
KSZCBDGPLPIMTB-UHSICZIDSA-N |
| Instrument Name |
Hewlett Packard 5985B |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np200759h |
| Molecular Weight |
432.476 g/mol |
| Reported Formula |
C25H24N2O5 |
| SMILES |
[nH]1c2c(c3ccccc13)C[C@@](N(\C2=C/C(=O)CC(OC)=O)Cc1ccccc1)(C(OC)=O)[H] |
| SPLASH |
splash10-05ai-0298000000-2ff17ec999af1f9e11aa |
| Source of Spectrum |
G4-75-187-20 |
| Thin-Layer Chromatography |
Rf = 0.41 (silica gel, EtOAc/hexanes, 2:3) |
| Wiley ID |
1854756 |
![(R,E)-Methyl-2-benzyl-1-(4-methoxy-2,4-dioxobutylidene)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate](/api/spectrum/9pUA3yPMEOn/structure.png?h=300&w=458 "(R,E)-Methyl-2-benzyl-1-(4-methoxy-2,4-dioxobutylidene)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate")
