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Ethyl 2-Cyano-2-(3-methyl-2-butenyl)-5-oxohexanoate
SpectraBase Compound ID 4LlFHgfRQ3m
InChI InChI=1S/C14H21NO3/c1-5-18-13(17)14(10-15,8-6-11(2)3)9-7-12(4)16/h6H,5,7-9H2,1-4H3
InChIKey NYDJWWAYEYNAGE-UHFFFAOYSA-N
Mol Weight 251.33 g/mol
Molecular Formula C14H21NO3
Exact Mass 251.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IqVciPifSC1
Name Ethyl 2-Cyano-2-(3-methyl-2-butenyl)-5-oxohexanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H21NO3
InChI InChI=1S/C14H21NO3/c1-5-18-13(17)14(10-15,8-6-11(2)3)9-7-12(4)16/h6H,5,7-9H2,1-4H3
InChIKey NYDJWWAYEYNAGE-UHFFFAOYSA-N
Molecular Weight 251.326 g/mol
SMILES C(C(=O)OCC)(C#N)(CC=C(C)C)CCC(=O)C
SPLASH splash10-014i-9400000000-275f6d54a7ece5a26167
Source of Spectrum C-118-8565-76
Synonyms Ethyl 2-cyano-5-methyl-2-(3-oxobutyl)-4-hexenoate
Wiley ID 759825