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3-iodanyl-6-methyl-2-phenyl-thiochromen-4-one
SpectraBase Compound ID JaEU1Kke5wM
InChI InChI=1S/C16H11IOS/c1-10-7-8-13-12(9-10)15(18)14(17)16(19-13)11-5-3-2-4-6-11/h2-9H,1H3
InChIKey BSEFBKUAWFLDQJ-UHFFFAOYSA-N
Mol Weight 378.23 g/mol
Molecular Formula C16H11IOS
Exact Mass 377.957531 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8C6zS7MOWVw
Name 3-iodanyl-6-methyl-2-phenyl-thiochromen-4-one
Alternate Name(s) 3-iodo-6-methyl-2-phenyl-1-benzothiopyran-4-one 3-iodo-6-methyl-2-phenyl-thiochromen-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11IOS
InChI InChI=1S/C16H11IOS/c1-10-7-8-13-12(9-10)15(18)14(17)16(19-13)11-5-3-2-4-6-11/h2-9H,1H3
InChIKey BSEFBKUAWFLDQJ-UHFFFAOYSA-N
Molecular Weight 378.227 g/mol
SMILES C1(=C(Sc2c(C1=O)cc(cc2)C)c1ccccc1)I
SPLASH splash10-0fb9-0079000000-ea2807e3c8530653b193
Source of Spectrum SO-0-566-5
Wiley ID 1544149