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3-phenyl-3,4-dihydro-1H-2-benzothiopyran
SpectraBase Compound ID HMkyf8IPs9f
InChI InChI=1S/C15H14S/c1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-16-15/h1-9,15H,10-11H2
InChIKey SZKKHRGNITYKII-UHFFFAOYSA-N
Mol Weight 226.34 g/mol
Molecular Formula C15H14S
Exact Mass 226.081622 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID qFFiRCGzLZ
Name 3-phenyl-3,4-dihydro-1H-2-benzothiopyran
Alternate Name(s) 3-Phenylisothiochromane 3-phenyl-3,4-dihydro-1H-isothiochromene
Comments Less than 3 mono-isotopic peaks
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Formula C15H14S
InChI InChI=1S/C15H14S/c1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-16-15/h1-9,15H,10-11H2
InChIKey SZKKHRGNITYKII-UHFFFAOYSA-N
Molecular Weight 226.337 g/mol
SMILES C1(SCc2c(C1)cccc2)c1ccccc1
SPLASH splash10-0udi-0930000000-422900d39ac13d93242c
Source of Spectrum J-61-1861-6
Wiley ID 1228090