| SpectraBase Spectrum ID |
GS2ftMXD9E |
| Name |
5-Chloro-2-(1-(3-fluorobenzyl)-1H-1,2,3-triazol-4-yl)-1-(methylsulfonyl)-1H-pyrrolo[2,3-b]pyridine |
| Appearance |
Pale yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
405.046251714 u |
| Formula |
C17H13ClFN5O2S |
| InChI |
InChI=1S/C17H13ClFN5O2S/c1-27(25,26)24-16(7-12-6-13(18)8-20-17(12)24)15-10-23(22-21-15)9-11-3-2-4-14(19)5-11/h2-8,10H,9H2,1H3 |
| InChIKey |
NZUXMZXRQJVCKT-UHFFFAOYSA-N |
| Instrument Name |
Finnigan TSQ 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201801632 |
| Molecular Weight |
405.835 g/mol |
| Quality |
436 |
| SMILES |
C1(=CC2=C(N=C1)N(C(=C2)C=1N=NN(C1)CC1=CC=CC(=C1)F)S(C)(=O)=O)Cl |
| SPLASH |
splash10-0a7i-0931000000-30873a0610c0d2f820c7 |
| Source of Spectrum |
QE-24-SM12-1g (DOI: 10.1002/chem.201801632) |
| Wiley ID |
1901575 |
![5-Chloro-2-(1-(3-fluorobenzyl)-1H-1,2,3-triazol-4-yl)-1-(methylsulfonyl)-1H-pyrrolo[2,3-b]pyridine](/api/spectrum/GS2ftMXD9E/structure.png?h=300&w=458 "5-Chloro-2-(1-(3-fluorobenzyl)-1H-1,2,3-triazol-4-yl)-1-(methylsulfonyl)-1H-pyrrolo[2,3-b]pyridine")
