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1-Hexanone, 5-iodo-1-[6-(2-methyl-1,3-dithian-2-yl)-2,4-cyclohexadien-1-yl]-
SpectraBase Compound ID 85LFD3FB0u
InChI InChI=1S/C17H25IOS2/c1-13(18)7-5-10-16(19)14-8-3-4-9-15(14)17(2)20-11-6-12-21-17/h3-4,8-9,13-15H,5-7,10-12H2,1-2H3
InChIKey QTNHWHYRWQCVDQ-UHFFFAOYSA-N
Mol Weight 436.41 g/mol
Molecular Formula C17H25IOS2
Exact Mass 436.039153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6G7x1GchCky
Name 1-Hexanone, 5-iodo-1-[6-(2-methyl-1,3-dithian-2-yl)-2,4-cyclohexadien-1-yl]-
CAS Registry Number 129296-26-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H25IOS2
InChI InChI=1S/C17H25IOS2/c1-13(18)7-5-10-16(19)14-8-3-4-9-15(14)17(2)20-11-6-12-21-17/h3-4,8-9,13-15H,5-7,10-12H2,1-2H3
InChIKey QTNHWHYRWQCVDQ-UHFFFAOYSA-N
Molecular Weight 436.410 g/mol
SMILES C1(C2C(C(=O)CCCC(I)C)C=CC=C2)(SCCCS1)C
SPLASH splash10-003r-0900000000-e3a6f2c2700e9a81562a
Source of Spectrum H-73-403-31
Synonyms 5-iodo-1-[6-(2-methyl-1,3-dithian-2-yl)-2,4-cyclohexadien-1-yl]-1-hexanone 5-iodo-1-[6-(2-methyl-1,3-dithian-2-yl)cyclohexa-2,4-dien-1-yl]hexan-1-one
Wiley ID 1383358