SpectraBase Spectrum ID |
Dbpdw6V4Myk |
Name |
methyl 2-acetamido-3-[1,6-bis(1-cyanoethyl)indol-3-yl]propanoate |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C20H22N4O3 |
InChI |
InChI=1S/C20H22N4O3/c1-12(9-21)15-5-6-17-16(7-18(20(26)27-4)23-14(3)25)11-24(13(2)10-22)19(17)8-15/h5-6,8,11-13,18H,7H2,1-4H3,(H,23,25) |
InChIKey |
BGLQRMAFLDAFNK-UHFFFAOYSA-N |
Instrument Name |
VG 70-250S |
Ionization Type |
EI |
Literature Reference DOI |
10.1016/S1044-0305(02)00623-2 |
Molecular Weight |
366.421 g/mol |
SMILES |
N(C(Cc1c2ccc(cc2[n](c1)C(C)C#N)C(C)C#N)C(OC)=O)C(C)=O |
SPLASH |
splash10-000i-0394000000-9827cf8618bbf2d3c443 |
Source of Spectrum |
A7-13-1300-Compound 4 |
Wiley ID |
1843786 |