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2-(2-iodobenzyl)-3-keto-hept-6-enoic acid methyl ester
SpectraBase Compound ID HuQGdKDOTfd
InChI InChI=1S/C15H17IO3/c1-3-4-9-14(17)12(15(18)19-2)10-11-7-5-6-8-13(11)16/h3,5-8,12H,1,4,9-10H2,2H3
InChIKey JGSHIQLWJCTSNZ-UHFFFAOYSA-N
Mol Weight 372.2 g/mol
Molecular Formula C15H17IO3
Exact Mass 372.022239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6OXSc1KNWhy
Name 2-(2-iodobenzyl)-3-keto-hept-6-enoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17IO3
InChI InChI=1S/C15H17IO3/c1-3-4-9-14(17)12(15(18)19-2)10-11-7-5-6-8-13(11)16/h3,5-8,12H,1,4,9-10H2,2H3
InChIKey JGSHIQLWJCTSNZ-UHFFFAOYSA-N
Molecular Weight 372.202 g/mol
SMILES C(Cc1c(I)cccc1)(C(=O)OC)C(=O)CCC=C
SPLASH splash10-001a-4290000000-978d3825e01d0d52291d
Source of Spectrum KC-0-1090-31
Synonyms 2-[(2-iodophenyl)methyl]-3-oxo-6-heptenoic acid methyl ester Methyl 2-[(2-iodanylphenyl)methyl]-3-oxidanylidene-hept-6-enoate Methyl 2-[(2-iodophenyl)methyl]-3-oxo-hept-6-enoate
Wiley ID 785479