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7-Pentylbenzo[b]-(1,4)-dioxepin-3-one
SpectraBase Compound ID 8NLmFVgNF7t
InChI InChI=1S/C14H18O3/c1-2-3-4-5-11-6-7-13-14(8-11)17-10-12(15)9-16-13/h6-8H,2-5,9-10H2,1H3
InChIKey CTUMHGXIKKWYIG-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 88YI2u4NGQe
Name 7-Pentylbenzo[b]-(1,4)-dioxepin-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O3
InChI InChI=1S/C14H18O3/c1-2-3-4-5-11-6-7-13-14(8-11)17-10-12(15)9-16-13/h6-8H,2-5,9-10H2,1H3
InChIKey CTUMHGXIKKWYIG-UHFFFAOYSA-N
Molecular Weight 234.295 g/mol
SMILES c12OCC(COc2ccc(c1)CCCCC)=O
SPLASH splash10-004i-1930000000-760c45c4520c9b11fb24
Source of Spectrum K1-2003-3740-17
Synonyms 7-Pentyl-2H-1,5-benzodioxepin-3(4H)-one 7-Pentyl-1,5-benzodioxepin-3-one
Wiley ID 1521536