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acetic acid (3-chloro-4-keto-pentyl) ester

View entire compound with spectra: 2 NMR

acetic acid (3-chloro-4-keto-pentyl) ester
SpectraBase Compound ID LVDmyQeRVx1
InChI InChI=1S/C7H11ClO3/c1-5(9)7(8)3-4-11-6(2)10/h7H,3-4H2,1-2H3
InChIKey LQKQGYIKTRJVJF-UHFFFAOYSA-N
Mol Weight 178.61 g/mol
Molecular Formula C7H11ClO3
Exact Mass 178.039672 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2rsj2OSV7WE
Name acetic acid (3-chloro-4-keto-pentyl) ester
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H11ClO3
InChI InChI=1S/C7H11ClO3/c1-5(9)7(8)3-4-11-6(2)10/h7H,3-4H2,1-2H3
InChIKey LQKQGYIKTRJVJF-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2006)
Molecular Weight 178.616 g/mol
Source File Reference MHKO1703