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7-(4-Methylpentyl)-1,5-benzodioxepin-3-one

View entire compound with spectra: 1 MS (GC)

7-(4-Methylpentyl)-1,5-benzodioxepin-3-one
SpectraBase Compound ID HPX4gjbYf6e
InChI InChI=1S/C15H20O3/c1-11(2)4-3-5-12-6-7-14-15(8-12)18-10-13(16)9-17-14/h6-8,11H,3-5,9-10H2,1-2H3
InChIKey HJMKQSMNOIVDCL-UHFFFAOYSA-N
Mol Weight 248.32 g/mol
Molecular Formula C15H20O3
Exact Mass 248.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID jPW8uBnHvQ
Name 7-(4-Methylpentyl)-1,5-benzodioxepin-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O3
InChI InChI=1S/C15H20O3/c1-11(2)4-3-5-12-6-7-14-15(8-12)18-10-13(16)9-17-14/h6-8,11H,3-5,9-10H2,1-2H3
InChIKey HJMKQSMNOIVDCL-UHFFFAOYSA-N
Molecular Weight 248.322 g/mol
SMILES c12OCC(COc2ccc(c1)CCCC(C)C)=O
SPLASH splash10-004i-1930000000-a9b03bd777b893f11a93
Source of Spectrum K1-2003-3740-18
Synonyms 7-isohexyl-1,5-benzodioxepin-3-one
Wiley ID 1521535