Debug Info

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2qAmuxauj30
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2qAmuxauj30
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Methyl 2-methyl-5-oxohexanoate
SpectraBase Compound ID EpND77R45Wm
InChI InChI=1S/C8H14O3/c1-6(8(10)11-3)4-5-7(2)9/h6H,4-5H2,1-3H3
InChIKey LRNMVXZETXAXKA-UHFFFAOYSA-N
Mol Weight 158.2 g/mol
Molecular Formula C8H14O3
Exact Mass 158.094294 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2qAmuxauj30
Name Methyl 2-methyl-5-oxohexanoate
CAS Registry Number 38872-30-9
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O3
InChI InChI=1S/C8H14O3/c1-6(8(10)11-3)4-5-7(2)9/h6H,4-5H2,1-3H3
InChIKey LRNMVXZETXAXKA-UHFFFAOYSA-N
Molecular Weight 158.197 g/mol
SMILES C(=O)(C(CCC(=O)C)C)OC
SPLASH splash10-002f-9600000000-860f8f55817405595308
Source of Spectrum K-124-955-33
Synonyms 2-Methyl-5-oxohexanoic acid methyl ester 5-keto-2-methyl-hexanoic acid methyl ester Methyl 2-methyl-5-oxidanylidene-hexanoate
Wiley ID 1155266
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