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Methyl 6-(hexyl)-2H-pyran-2-one-3-carboxylate

View entire compound with spectra: 1 MS (GC)

Methyl 6-(hexyl)-2H-pyran-2-one-3-carboxylate
SpectraBase Compound ID ETuIlFojAZJ
InChI InChI=1S/C13H18O4/c1-3-4-5-6-7-10-8-9-11(12(14)16-2)13(15)17-10/h8-9H,3-7H2,1-2H3
InChIKey KLGXIBSJUYWEJH-UHFFFAOYSA-N
Mol Weight 238.28 g/mol
Molecular Formula C13H18O4
Exact Mass 238.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ZDIlJHRdqP
Name Methyl 6-(hexyl)-2H-pyran-2-one-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O4
InChI InChI=1S/C13H18O4/c1-3-4-5-6-7-10-8-9-11(12(14)16-2)13(15)17-10/h8-9H,3-7H2,1-2H3
InChIKey KLGXIBSJUYWEJH-UHFFFAOYSA-N
Molecular Weight 238.283 g/mol
SMILES C=1(C(OC(=CC1)CCCCCC)=O)C(=O)OC
SPLASH splash10-0f79-2910000000-8419976dcd030ec04f5a
Source of Spectrum U1-2011-1103-2f
Synonyms 6-Hexyl-2-oxo-3-pyrancarboxylic acid methyl ester Methyl 6-hexyl-2-oxopyran-3-carboxylate Methyl 6-hexyl-2-oxo-pyran-3-carboxylate Methyl 6-hexyl-2-oxidanylidene-pyran-3-carboxylate
Wiley ID 1664977