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2-(1-Benzothiophen-3-yl)-5-benzyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
SpectraBase Compound ID 3lkjjgO83pR
InChI InChI=1S/C28H21N3OS/c1-32-21-13-11-20(12-14-21)26-15-24-28(31(26)17-19-7-3-2-4-8-19)29-16-25(30-24)23-18-33-27-10-6-5-9-22(23)27/h2-16,18H,17H2,1H3
InChIKey UBSXUIJFNLAMCK-UHFFFAOYSA-N
Mol Weight 447.56 g/mol
Molecular Formula C28H21N3OS
Exact Mass 447.140533 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1vKfodkRVPO
Name 2-(1-Benzothiophen-3-yl)-5-benzyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H21N3OS
InChI InChI=1S/C28H21N3OS/c1-32-21-13-11-20(12-14-21)26-15-24-28(31(26)17-19-7-3-2-4-8-19)29-16-25(30-24)23-18-33-27-10-6-5-9-22(23)27/h2-16,18H,17H2,1H3
InChIKey UBSXUIJFNLAMCK-UHFFFAOYSA-N
Instrument Name Hewlett-Packard 5988A
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.p008.720
Molecular Weight 447.556 g/mol
Reported Formula C28H21N3OS
SMILES c1([n](c2c(c1)nc(cn2)-c1c2c(sc1)cccc2)Cc1ccccc1)-c1ccc(cc1)OC
SPLASH splash10-0002-0105900000-fa2df8fc836c6cb85174
Source of Spectrum ARK-2014-336-7d
Wiley ID 1845642