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5-Methoxy-2,2-dimethyl-4-phenyl-2H-thiochromene
SpectraBase Compound ID 6OHkxoThAS1
InChI InChI=1S/C18H18OS/c1-18(2)12-14(13-8-5-4-6-9-13)17-15(19-3)10-7-11-16(17)20-18/h4-12H,1-3H3
InChIKey BIPQVVKRTNPIRP-UHFFFAOYSA-N
Mol Weight 282.4 g/mol
Molecular Formula C18H18OS
Exact Mass 282.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ApKhv5yY8uC
Name 5-Methoxy-2,2-dimethyl-4-phenyl-2H-thiochromene
Appearance Brown oil
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Formula C18H18OS
InChI InChI=1S/C18H18OS/c1-18(2)12-14(13-8-5-4-6-9-13)17-15(19-3)10-7-11-16(17)20-18/h4-12H,1-3H3
InChIKey BIPQVVKRTNPIRP-UHFFFAOYSA-N
Instrument Name Agilent 6890N/5973/Thermo 1300GC-ISQ 7041
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00333
Reported Formula C18H18OS
SMILES c1c(c2c(cc1)SC(C=C2c1ccccc1)(C)C)OC
SPLASH splash10-014i-0090000000-a447ae946b2001fb6cfb
Source of Spectrum JOC-86-7087-8ah'
Thin-Layer Chromatography Rf = 0.18 (hexane)
Wiley ID 1867733