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2-Oxepanecarboxylic acid, 7-hexyl-3-oxo-, ethyl ester
SpectraBase Compound ID Fnyee8eXWBb
InChI InChI=1S/C15H26O4/c1-3-5-6-7-9-12-10-8-11-13(16)14(19-12)15(17)18-4-2/h12,14H,3-11H2,1-2H3
InChIKey OVFRIVOCMYYEKW-UHFFFAOYSA-N
Mol Weight 270.37 g/mol
Molecular Formula C15H26O4
Exact Mass 270.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fx2LnCIUffT
Name 2-Oxepanecarboxylic acid, 7-hexyl-3-oxo-, ethyl ester
CAS Registry Number 122061-20-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H26O4
InChI InChI=1S/C15H26O4/c1-3-5-6-7-9-12-10-8-11-13(16)14(19-12)15(17)18-4-2/h12,14H,3-11H2,1-2H3
InChIKey OVFRIVOCMYYEKW-UHFFFAOYSA-N
Molecular Weight 270.369 g/mol
SMILES C1(OC(CCCC1=O)CCCCCC)C(=O)OCC
SPLASH splash10-00ea-7890000000-69a8d573221420010b33
Source of Spectrum KC-1989-728-20
Synonyms Ethyl 7-hexyl-3-oxo-2-oxepanecarboxylate Ethyl 7-hexyl-3-oxo-oxepane-2-carboxylate
Wiley ID 1274222