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4-(4-tert-Butylphenyl)thieno[3,2-b]quinolin-9(4H)-one
SpectraBase Compound ID I3QduYP7HgT
InChI InChI=1S/C21H19NOS/c1-21(2,3)14-8-10-15(11-9-14)22-17-7-5-4-6-16(17)19(23)20-18(22)12-13-24-20/h4-13H,1-3H3
InChIKey LVXLAGNTZFFSCH-UHFFFAOYSA-N
Mol Weight 333.45 g/mol
Molecular Formula C21H19NOS
Exact Mass 333.118735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 67xEssVuaEE
Name 4-(4-tert-Butylphenyl)thieno[3,2-b]quinolin-9(4H)-one
Appearance Pale yellow solid
Carrier Gas Helium
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Exact Mass 333.118735409 u
Formula C21H19NOS
InChI InChI=1S/C21H19NOS/c1-21(2,3)14-8-10-15(11-9-14)22-17-7-5-4-6-16(17)19(23)20-18(22)12-13-24-20/h4-13H,1-3H3
InChIKey LVXLAGNTZFFSCH-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95-XP
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201901247
Molecular Weight 333.449 g/mol
Quality 90
Reported Formula C21H19O1N1S1
SMILES C=1SC2=C(C1)N(C1=C(C2=O)C=CC=C1)C1=CC=C(C=C1)C(C)(C)C
SPLASH splash10-00lr-0009000000-950638b4a8b1e491eb2b
Source of Spectrum K1-2019-7260-4c (DOI: 10.1002/ejoc.201901247)
Wiley ID 1892292