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3-Iodo-2,2-dimethyl-4-phenyl-2H-thiochromene
SpectraBase Compound ID AauiCNTa8yY
InChI InChI=1S/C17H15IS/c1-17(2)16(18)15(12-8-4-3-5-9-12)13-10-6-7-11-14(13)19-17/h3-11H,1-2H3
InChIKey UZSRPHUMELCHKH-UHFFFAOYSA-N
Mol Weight 378.27 g/mol
Molecular Formula C17H15IS
Exact Mass 377.993917 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FzY1pa2Lbu7
Name 3-Iodo-2,2-dimethyl-4-phenyl-2H-thiochromene
Appearance Pale yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15IS
InChI InChI=1S/C17H15IS/c1-17(2)16(18)15(12-8-4-3-5-9-12)13-10-6-7-11-14(13)19-17/h3-11H,1-2H3
InChIKey UZSRPHUMELCHKH-UHFFFAOYSA-N
Instrument Name Agilent 6890N/5973/Thermo 1300GC-ISQ 7030
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00333
Molecular Weight 378.271 g/mol
Reported Formula C17H15IS
SMILES c1cc2c(cc1)SC(C(=C2c1ccccc1)I)(C)C
SPLASH splash10-004i-0239000000-239beab387730232561a
Source of Spectrum JOC-86-7086-7ae
Thin-Layer Chromatography Rf = 0.33 (hexane)
Wiley ID 1867727