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(E)-Ethyl 3-methyl-4-oxohex-2-enoate
SpectraBase Compound ID JZAArLVuJFg
InChI InChI=1S/C9H14O3/c1-4-8(10)7(3)6-9(11)12-5-2/h6H,4-5H2,1-3H3/b7-6+
InChIKey NKQMAAKJCVJQJN-VOTSOKGWSA-N
Mol Weight 170.21 g/mol
Molecular Formula C9H14O3
Exact Mass 170.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9r4QGUGPkEn
Name (E)-Ethyl 3-methyl-4-oxohex-2-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O3
InChI InChI=1S/C9H14O3/c1-4-8(10)7(3)6-9(11)12-5-2/h6H,4-5H2,1-3H3/b7-6+
InChIKey NKQMAAKJCVJQJN-VOTSOKGWSA-N
Literature Reference DOI 10.1002/cctc.201801040
Molecular Weight 170.208 g/mol
SMILES C(C)OC(\C=C\(C(CC)=O)C)=O
SPLASH splash10-0abc-9700000000-43ea2550397fb795741f
Source of Spectrum CCC-10-SM11-(E)_2a
Synonyms Ethyl (E)-3-methyl-4-oxohex-2-enoate
Wiley ID 1812731