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Cycloheptanecarboxylic acid, 1-(3-iodopropyl)-2-oxo-, methyl ester
SpectraBase Compound ID IJQy2A8x4Jx
InChI InChI=1S/C12H19IO3/c1-16-11(15)12(8-5-9-13)7-4-2-3-6-10(12)14/h2-9H2,1H3
InChIKey MNSTZRRGLPUFDA-UHFFFAOYSA-N
Mol Weight 338.19 g/mol
Molecular Formula C12H19IO3
Exact Mass 338.037889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HZL4CQ39PC7
Name Cycloheptanecarboxylic acid, 1-(3-iodopropyl)-2-oxo-, methyl ester
Alternate Name(s) Methyl 1-(3-iodopropyl)-2-oxocycloheptanecarboxylate Methyl 1-(3-iodopropyl)-2-oxocycloheptanoate
CAS Registry Number 110528-52-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H19IO3
InChI InChI=1S/C12H19IO3/c1-16-11(15)12(8-5-9-13)7-4-2-3-6-10(12)14/h2-9H2,1H3
InChIKey MNSTZRRGLPUFDA-UHFFFAOYSA-N
Molecular Weight 338.185 g/mol
SMILES C1(C(=O)OC)(C(=O)CCCCC1)CCCI
SPLASH splash10-03di-0090000000-147a63b76bc6266a5357
Source of Spectrum F-45-88-29
Wiley ID 1333380