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1-(2-(thiophen-3-yl)ethyl)isoquinoline
SpectraBase Compound ID BUN4purt2ii
InChI InChI=1S/C15H13NS/c1-2-4-14-13(3-1)7-9-16-15(14)6-5-12-8-10-17-11-12/h1-4,7-11H,5-6H2
InChIKey CEVCDGVJUORWCV-UHFFFAOYSA-N
Mol Weight 239.34 g/mol
Molecular Formula C15H13NS
Exact Mass 239.076871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fuq7TZdlddE
Name 1-(2-(thiophen-3-yl)ethyl)isoquinoline
Appearance Brown oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13NS
InChI InChI=1S/C15H13NS/c1-2-4-14-13(3-1)7-9-16-15(14)6-5-12-8-10-17-11-12/h1-4,7-11H,5-6H2
InChIKey CEVCDGVJUORWCV-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201914490
Molecular Weight 239.336 g/mol
Reported Formula C15H13NS
SMILES c1cc2c(cc1)c(ncc2)CCc1cscc1
SPLASH splash10-000i-0290000000-5ac763dd5efd02c0e29b
Source of Spectrum ACI-59-SM21-3q
Wiley ID 1857662