| SpectraBase Spectrum ID |
2bUV7EIDEa9 |
| Name |
(S)-Benzyl 3-[2-cyano-1-(pyridin-2-yl)-1H-indol-3-yl]-2-(1,3-dioxoisoindolin-2-yl)propanoate |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
526.164105200 u |
| Formula |
C32H22N4O4 |
| InChI |
InChI=1S/C32H22N4O4/c33-19-28-25(22-12-6-7-15-26(22)35(28)29-16-8-9-17-34-29)18-27(32(39)40-20-21-10-2-1-3-11-21)36-30(37)23-13-4-5-14-24(23)31(36)38/h1-17,27H,18,20H2/t27-/m0/s1 |
| InChIKey |
PNZNTMYIKKWMPN-MHZLTWQESA-N |
| Instrument Name |
Finnigan MAT 95 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201604621 |
| Molecular Weight |
526.552 g/mol |
| Reported Formula |
C32H22N4O4 |
| SMILES |
C1(=CC=CC=C1)COC([C@](CC1=C(N(C2=C1C=CC=C2)C1=NC=CC=C1)C#N)(N1C(C2=C(C1=O)C=CC=C2)=O)[H])=O |
| SPLASH |
splash10-0036-0094170000-b25648ba30c681bdcb0f |
| Source of Spectrum |
QE-22-SM20-8b (DOI: 10.1002/chem.201604621) |
| Wiley ID |
1905374 |
![(S)-Benzyl 3-[2-cyano-1-(pyridin-2-yl)-1H-indol-3-yl]-2-(1,3-dioxoisoindolin-2-yl)propanoate](/api/spectrum/2bUV7EIDEa9/structure.png?h=300&w=458 "(S)-Benzyl 3-[2-cyano-1-(pyridin-2-yl)-1H-indol-3-yl]-2-(1,3-dioxoisoindolin-2-yl)propanoate")
