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3-Cyano-5,5-dimethyl-2-oxo-5,6-dihydro-2H-pyran-4-methylcarboxylicacidethylester
SpectraBase Compound ID 6z1aSonjsjc
InChI InChI=1S/C12H15NO4/c1-4-16-10(14)5-9-8(6-13)11(15)17-7-12(9,2)3/h4-5,7H2,1-3H3
InChIKey OXUZBTUQVUKBAW-UHFFFAOYSA-N
Mol Weight 237.25 g/mol
Molecular Formula C12H15NO4
Exact Mass 237.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Lw9DhQfSyv
Name 3-Cyano-5,5-dimethyl-2-oxo-5,6-dihydro-2H-pyran-4-methylcarboxylicacidethylester
Alternate Name(s) Ethyl 2-(5-cyano-3,3-dimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl)acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NO4
InChI InChI=1S/C12H15NO4/c1-4-16-10(14)5-9-8(6-13)11(15)17-7-12(9,2)3/h4-5,7H2,1-3H3
InChIKey OXUZBTUQVUKBAW-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.19823150706
Molecular Weight 237.255 g/mol
SMILES CC1(C)COC(=O)C(C#N)=C1CC(OCC)=O
SPLASH splash10-004i-9500000000-0a859e40eedcbee4c486
Source of Spectrum APC-315-601-3e
Wiley ID 1788044