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7-(2'-Methylprop)-(1,4)-dioxepin-3-one
SpectraBase Compound ID CqxJc94g4jE
InChI InChI=1S/C13H16O3/c1-9(2)5-10-3-4-12-13(6-10)16-8-11(14)7-15-12/h3-4,6,9H,5,7-8H2,1-2H3
InChIKey XHRYSSFJDBWTTA-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 KCNtGEnxOGD
Name 7-(2'-Methylprop)-(1,4)-dioxepin-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-9(2)5-10-3-4-12-13(6-10)16-8-11(14)7-15-12/h3-4,6,9H,5,7-8H2,1-2H3
InChIKey XHRYSSFJDBWTTA-UHFFFAOYSA-N
Molecular Weight 220.268 g/mol
SMILES c12OCC(COc2ccc(c1)CC(C)C)=O
SPLASH splash10-004i-1920000000-c695c54e512415ddb219
Source of Spectrum K1-2003-3742-26
Synonyms 7-(2-Methylpropyl)-1,5-benzodioxepin-3-one
Wiley ID 1521527