Debug Info

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1DI8Oz2mOKY
spectrumID
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1DI8Oz2mOKY
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5,6-Dimethyl-7-oxoheptanoic acid ethyl ester

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

5,6-Dimethyl-7-oxoheptanoic acid ethyl ester
SpectraBase Compound ID GkS66CVgfG9
InChI InChI=1S/C11H20O3/c1-4-14-11(13)7-5-6-9(2)10(3)8-12/h8-10H,4-7H2,1-3H3
InChIKey MHSBBYQZSKCUSV-UHFFFAOYSA-N
Mol Weight 200.28 g/mol
Molecular Formula C11H20O3
Exact Mass 200.141245 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1DI8Oz2mOKY
Name 5,6-Dimethyl-7-oxoheptanoic acid ethyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H20O3
InChI InChI=1S/C11H20O3/c1-4-14-11(13)7-5-6-9(2)10(3)8-12/h8-10H,4-7H2,1-3H3
InChIKey MHSBBYQZSKCUSV-UHFFFAOYSA-N
Molecular Weight 200.278 g/mol
SMILES C(=O)(OCC)CCCC(C(C=O)C)C
SPLASH splash10-0a4i-6900000000-0ce6f4e19c29f0c154fb
Source of Spectrum F-54-1488-38
Synonyms 7-keto-5,6-dimethyl-enanthic acid ethyl ester Ethyl 5,6-dimethyl-7-oxidanylidene-heptanoate Ethyl 5,6-dimethyl-7-oxo-heptanoate
Wiley ID 805711
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