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Benzenepropanoic acid, .alpha.-cyclopropyl-.alpha.-(iodomethyl)-.beta.-oxo-, methyl ester
SpectraBase Compound ID F2d5UEaEN7r
InChI InChI=1S/C14H15IO3/c1-18-13(17)14(9-15,11-7-8-11)12(16)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3
InChIKey VAIAUAXZZGQCPP-UHFFFAOYSA-N
Mol Weight 358.18 g/mol
Molecular Formula C14H15IO3
Exact Mass 358.006589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7pdZS92ZKTX
Name Benzenepropanoic acid, .alpha.-cyclopropyl-.alpha.-(iodomethyl)-.beta.-oxo-, methyl ester
Alternate Name(s) Methyl 2-benzoyl-2-cyclopropyl-3-iodopropionate Methyl 2-cyclopropyl-2-(iodomethyl)-3-oxo-3-phenylpropanoate
CAS Registry Number 126314-03-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15IO3
InChI InChI=1S/C14H15IO3/c1-18-13(17)14(9-15,11-7-8-11)12(16)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3
InChIKey VAIAUAXZZGQCPP-UHFFFAOYSA-N
Molecular Weight 358.175 g/mol
SMILES C(C(=O)c1ccccc1)(C1CC1)(C(=O)OC)CI
SPLASH splash10-0a4i-1900000000-d6a4b74fc48490ada245
Source of Spectrum F-45-5949-4
Wiley ID 1346778