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7-(3'-Methylbutyl)benzo[b]-(1,4)-dioxepin-3-one
SpectraBase Compound ID AMrxeJxjQgv
InChI InChI=1S/C14H18O3/c1-10(2)3-4-11-5-6-13-14(7-11)17-9-12(15)8-16-13/h5-7,10H,3-4,8-9H2,1-2H3
InChIKey AWAHFLZWCBUHMX-UHFFFAOYSA-N
Mol Weight 234.29 g/mol
Molecular Formula C14H18O3
Exact Mass 234.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5a1692FTPC7
Name 7-(3'-Methylbutyl)benzo[b]-(1,4)-dioxepin-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O3
InChI InChI=1S/C14H18O3/c1-10(2)3-4-11-5-6-13-14(7-11)17-9-12(15)8-16-13/h5-7,10H,3-4,8-9H2,1-2H3
InChIKey AWAHFLZWCBUHMX-UHFFFAOYSA-N
Molecular Weight 234.295 g/mol
SMILES c12OCC(COc2ccc(c1)CCC(C)C)=O
SPLASH splash10-004i-1930000000-06cad8595650c2d0b6ef
Source of Spectrum K1-2003-3740-16
Synonyms 7-isopentyl-2H-1,5-benzodioxepin-3(4H)-one 7-isopentyl-1,5-benzodioxepin-3-one 7-(3-Methylbutyl)-1,5-benzodioxepin-3-one
Wiley ID 1521537