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3-Oxo-2-(6-oxo-cyclohex-1-enylmethyl)-butyric acid methyl ester
SpectraBase Compound ID 3KD9XwbHdsy
InChI InChI=1S/C12H16O4/c1-8(13)10(12(15)16-2)7-9-5-3-4-6-11(9)14/h5,10H,3-4,6-7H2,1-2H3
InChIKey ORWOKWSZWLXVSE-UHFFFAOYSA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BGpowLTXVor
Name 3-Oxo-2-(6-oxo-cyclohex-1-enylmethyl)-butyric acid methyl ester
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O4
InChI InChI=1S/C12H16O4/c1-8(13)10(12(15)16-2)7-9-5-3-4-6-11(9)14/h5,10H,3-4,6-7H2,1-2H3
InChIKey ORWOKWSZWLXVSE-UHFFFAOYSA-N
Instrument Name Hewlett-Packard
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.12.234
Molecular Weight 224.256 g/mol
SMILES C1C(C(=CCC1)CC(C(=O)OC)C(=O)C)=O
SPLASH splash10-05fs-6910000000-f3ef66927d55a8d0f693
Source of Spectrum BJO-12-SM30-3d
Wiley ID 1851773