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2-Ethynyl-3-methyl-4-phenyl-1-tosyl-1,2-dihydroquinoline
SpectraBase Compound ID GpzFHyTqlBq
InChI InChI=1S/C25H21NO2S/c1-4-23-19(3)25(20-10-6-5-7-11-20)22-12-8-9-13-24(22)26(23)29(27,28)21-16-14-18(2)15-17-21/h1,5-17,23H,2-3H3
InChIKey QGPXWHDTCDJLMQ-UHFFFAOYSA-N
Mol Weight 399.51 g/mol
Molecular Formula C25H21NO2S
Exact Mass 399.1293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LNLuXR99qaj
Name 2-Ethynyl-3-methyl-4-phenyl-1-tosyl-1,2-dihydroquinoline
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 399.129300092 u
Formula C25H21NO2S
InChI InChI=1S/C25H21NO2S/c1-4-23-19(3)25(20-10-6-5-7-11-20)22-12-8-9-13-24(22)26(23)29(27,28)21-16-14-18(2)15-17-21/h1,5-17,23H,2-3H3
InChIKey QGPXWHDTCDJLMQ-UHFFFAOYSA-N
Instrument Name Finnigan SSQ
Ionization Type EI
Literature Reference DOI 10.1002/chem.201701255
Molecular Weight 399.508 g/mol
Reported Formula C25H21NO2S
SMILES C1=CC2=C(C=C1)N(C(C(=C2C1=CC=CC=C1)C)C#C)S(C1=CC=C(C=C1)C)(=O)=O
SPLASH splash10-0006-0090000000-9eec535c30a0920921de
Source of Spectrum QE-23-SM11-3h (DOI: 10.1002/chem.201701255)
Thin-Layer Chromatography 0.22 (Hex/EtOAc, 10:1)
Wiley ID 1905779