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3-Cyano-5-methyl-5-ethyl-2-oxo-5,6-dihydro-2H-pyran-4-methylcarboxylicacidethylester
SpectraBase Compound ID 2ej63X78XdZ
InChI InChI=1S/C13H17NO4/c1-4-13(3)8-18-12(16)9(7-14)10(13)6-11(15)17-5-2/h4-6,8H2,1-3H3
InChIKey PKLKPNDHSDARAC-UHFFFAOYSA-N
Mol Weight 251.28 g/mol
Molecular Formula C13H17NO4
Exact Mass 251.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3rF7rTDH6WR
Name 3-Cyano-5-methyl-5-ethyl-2-oxo-5,6-dihydro-2H-pyran-4-methylcarboxylicacidethylester
Alternate Name(s) Ethyl 2-(5-cyano-3-ethyl-3-methyl-6-oxo-3,6-dihydro-2H-pyran-4-yl)acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO4
InChI InChI=1S/C13H17NO4/c1-4-13(3)8-18-12(16)9(7-14)10(13)6-11(15)17-5-2/h4-6,8H2,1-3H3
InChIKey PKLKPNDHSDARAC-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.19823150706
Molecular Weight 251.282 g/mol
SMILES CC1(CC)COC(=O)C(C#N)=C1CC(OCC)=O
SPLASH splash10-004i-9310000000-089377a213645e2f161e
Source of Spectrum APC-315-602-3f
Wiley ID 1788045