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6-Butan-2-yl-1,5-benzodioxepin-3-one

View entire compound with spectra: 1 MS (GC)

6-Butan-2-yl-1,5-benzodioxepin-3-one
SpectraBase Compound ID I6l9uI3fKsh
InChI InChI=1S/C13H16O3/c1-3-9(2)11-5-4-6-12-13(11)16-8-10(14)7-15-12/h4-6,9H,3,7-8H2,1-2H3
InChIKey NOAOMGJQEGEFBK-UHFFFAOYSA-N
Mol Weight 220.27 g/mol
Molecular Formula C13H16O3
Exact Mass 220.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GdoxuOlvcaT
Name 6-Butan-2-yl-1,5-benzodioxepin-3-one
Alternate Name(s) 6-sec-butyl-1,5-benzodioxepin-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-3-9(2)11-5-4-6-12-13(11)16-8-10(14)7-15-12/h4-6,9H,3,7-8H2,1-2H3
InChIKey NOAOMGJQEGEFBK-UHFFFAOYSA-N
Molecular Weight 220.268 g/mol
SMILES c12OCC(=O)COc2cccc1C(CC)C
SPLASH splash10-0006-4920000000-7436b1ab305ca9c679fe
Source of Spectrum H-90-1260-9
Wiley ID 1590742