SpectraBase Spectrum ID |
5mo1RciEa7O |
Name |
2-Chloroethyl 1-(3-methylpyridin-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonate |
Appearance |
Brown oil |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
351.044440194 u |
Formula |
C15H14ClN3O3S |
InChI |
InChI=1S/C15H14ClN3O3S/c1-11-4-2-7-17-14(11)19-10-13(23(20,21)22-9-6-16)12-5-3-8-18-15(12)19/h2-5,7-8,10H,6,9H2,1H3 |
InChIKey |
PSBKSXDODZNOLC-UHFFFAOYSA-N |
Instrument Name |
Agilent 5975N |
Ionization Type |
EI |
Literature Reference DOI |
10.1002/anie.201612565 |
Molecular Weight |
351.808 g/mol |
Quality |
204 |
Reported Formula |
C16H14ClN2O3S |
SMILES |
C1(S(OCCCl)(=O)=O)=CN(C2=C1C=CC=N2)C1=C(C=CC=N1)C |
SPLASH |
splash10-0a4i-2093000000-6c3fa7a3449bcc529c24 |
Source of Spectrum |
ACI-56-SM25-2w (DOI: 10.1002/anie.201612565) |
Wiley ID |
1895537 |