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3-[Hydroxy(4-methylphenyl)methyl]-4-iodo-(Z)-3-buten-2-one
SpectraBase Compound ID 8VxyNDaP7Ca
InChI InChI=1S/C12H13IO2/c1-8-3-5-10(6-4-8)12(15)11(7-13)9(2)14/h3-7,12,15H,1-2H3/b11-7+
InChIKey QKKTXGFYUSQJQH-YRNVUSSQSA-N
Mol Weight 316.14 g/mol
Molecular Formula C12H13IO2
Exact Mass 315.996025 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ANJF3H8Aih5
Name 3-[Hydroxy(4-methylphenyl)methyl]-4-iodo-(Z)-3-buten-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13IO2
InChI InChI=1S/C12H13IO2/c1-8-3-5-10(6-4-8)12(15)11(7-13)9(2)14/h3-7,12,15H,1-2H3/b11-7+
InChIKey QKKTXGFYUSQJQH-YRNVUSSQSA-N
Molecular Weight 316.138 g/mol
SMILES OC(\C(C(=O)C)=C\I)c1ccc(cc1)C
SPLASH splash10-000f-8900000000-737846946389753ecb97
Source of Spectrum C5-2005-59-3
Synonyms (3Z)-3-[hydroxy(4-methylphenyl)methyl]-4-iodo-3-buten-2-one
Wiley ID 1617913