| SpectraBase Spectrum ID |
B6gfJ4nJBtL |
| Name |
(S)-Methyl 2-acetamido-3-[2-cyano-1-(pyridin-2-yl)-1H-indol-3-yl]propanoate |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.137890453 u |
| Formula |
C20H18N4O3 |
| InChI |
InChI=1S/C20H18N4O3/c1-13(25)23-16(20(26)27-2)11-15-14-7-3-4-8-17(14)24(18(15)12-21)19-9-5-6-10-22-19/h3-10,16H,11H2,1-2H3,(H,23,25)/t16-/m0/s1 |
| InChIKey |
IVCNVSRSBCQLGR-INIZCTEOSA-N |
| Instrument Name |
Finnigan MAT 95 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201604621 |
| Molecular Weight |
362.389 g/mol |
| Quality |
120 |
| Reported Formula |
C20H18N4O3 |
| SMILES |
N([C@](C(OC)=O)(CC1=C(N(C2=C1C=CC=C2)C1=NC=CC=C1)C#N)[H])C(C)=O |
| SPLASH |
splash10-001l-2093000000-55f0fc5d3c60aafc1a77 |
| Source of Spectrum |
QE-22-SM19-8a (DOI: 10.1002/chem.201604621) |
| Wiley ID |
1905373 |
![(S)-Methyl 2-acetamido-3-[2-cyano-1-(pyridin-2-yl)-1H-indol-3-yl]propanoate](/api/spectrum/B6gfJ4nJBtL/structure.png?h=300&w=458 "(S)-Methyl 2-acetamido-3-[2-cyano-1-(pyridin-2-yl)-1H-indol-3-yl]propanoate")
