For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-(2-Chlorophenyl)-2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5(4H)-yl)acetic acid(2-bromoethanol)ester
SpectraBase Compound ID 11NwfnZx7z7
InChI InChI=1S/C17H17BrClNO2S/c18-7-9-22-17(21)16(13-3-1-2-4-14(13)19)20-8-5-15-12(11-20)6-10-23-15/h1-4,6,10,16H,5,7-9,11H2
InChIKey IELVOOMHYQKUQZ-UHFFFAOYSA-N
Mol Weight 414.75 g/mol
Molecular Formula C17H17BrClNO2S
Exact Mass 412.985191 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 6O1eq6dWdsK
Name 2-(2-Chlorophenyl)-2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5(4H)-yl)acetic acid(2-bromoethanol)ester
Appearance Colorless transparent crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17BrClNO2S
InChI InChI=1S/C17H17BrClNO2S/c18-7-9-22-17(21)16(13-3-1-2-4-14(13)19)20-8-5-15-12(11-20)6-10-23-15/h1-4,6,10,16H,5,7-9,11H2
InChIKey IELVOOMHYQKUQZ-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 414.745 g/mol
SMILES c12CN(CCc2scc1)C(C(OCCBr)=O)c1ccccc1Cl
SPLASH splash10-03di-0790000000-a90c510d8f0189f1eed9
Source of Spectrum CN101863900A
Wiley ID 1843880