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3-iodanyl-4-(5-nitrothiophen-2-yl)butan-2-one
SpectraBase Compound ID Lu5dMCRfa2S
InChI InChI=1S/C8H8INO3S/c1-5(11)7(9)4-6-2-3-8(14-6)10(12)13/h2-3,7H,4H2,1H3
InChIKey DDQXXSOPKRNZNZ-UHFFFAOYSA-N
Mol Weight 325.12 g/mol
Molecular Formula C8H8INO3S
Exact Mass 324.926959 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ER8zXw18tIQ
Name 3-iodanyl-4-(5-nitrothiophen-2-yl)butan-2-one
Alternate Name(s) 3-iodo-4-(5-nitro-2-thienyl)butan-2-one 3-iodo-4-(5-nitro-2-thiophenyl)-2-butanone 3-iodo-4-(5-nitrothiophen-2-yl)butan-2-one
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Formula C8H8INO3S
InChI InChI=1S/C8H8INO3S/c1-5(11)7(9)4-6-2-3-8(14-6)10(12)13/h2-3,7H,4H2,1H3
InChIKey DDQXXSOPKRNZNZ-UHFFFAOYSA-N
Molecular Weight 325.120 g/mol
SMILES c1(N(=O)=O)sc(CC(C(=O)C)I)cc1
SPLASH splash10-0ab9-9100000000-420e8e8ef191b394dfcf
Source of Spectrum K1-2000-1657-3
Wiley ID 750117