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1H-3-Iodo-4-(4-methylbenzylthio)-6-methylbenzothiopyran
SpectraBase Compound ID KNf0SeErhVU
InChI InChI=1S/C18H17IS2/c1-12-3-6-14(7-4-12)10-20-17-16-9-13(2)5-8-15(16)11-21-18(17)19/h3-9H,10-11H2,1-2H3
InChIKey XOVWHEWQAFRCLG-UHFFFAOYSA-N
Mol Weight 424.36 g/mol
Molecular Formula C18H17IS2
Exact Mass 423.981638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G6IcYAkVrwh
Name 1H-3-Iodo-4-(4-methylbenzylthio)-6-methylbenzothiopyran
Alternate Name(s) 3-Iodo-6-methyl-4-(4-methyl-benzylsulfanyl)-1H-isothiochromene 3-iodo-6-methyl-4-[(4-methylbenzyl)sulfanyl]-4H-1-benzothiopyran 3-iodo-6-methyl-4H-1-benzothiopyran-4-yl 4-methylbenzyl sulfide 3-iodo-6-methyl-4-[(4-methylphenyl)methylthio]-1H-2-benzothiopyran 3-iodo-6-methyl-4-[(4-methylphenyl)methylsulfanyl]-1H-isothiochromene 3-iodo-6-methyl-4-(p-tolylmethylsulfanyl)-1H-isothiochromene 3-iodanyl-6-methyl-4-[(4-methylphenyl)methylsulfanyl]-1H-isothiochromene
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Formula C18H17IS2
InChI InChI=1S/C18H17IS2/c1-12-3-6-14(7-4-12)10-20-17-16-9-13(2)5-8-15(16)11-21-18(17)19/h3-9H,10-11H2,1-2H3
InChIKey XOVWHEWQAFRCLG-UHFFFAOYSA-N
Molecular Weight 424.358 g/mol
SMILES C1(=C(SCc2c1cc(cc2)C)I)SCc1ccc(cc1)C
SPLASH splash10-0ab9-0910500000-c4b50b9970c3e8faea27
Source of Spectrum J-63-4630-3
Wiley ID 1379123