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7-Butan-2-yl-1,5-benzodioxepin-3-one
SpectraBase Compound ID 5K8oFqBnNqI
InChI InChI=1S/C13H16O3/c1-3-9(2)10-4-5-12-13(6-10)16-8-11(14)7-15-12/h4-6,9H,3,7-8H2,1-2H3
InChIKey VKAVOORYKGYBOA-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 53NV5ZsuQ8s
Name 7-Butan-2-yl-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)10-4-5-12-13(6-10)16-8-11(14)7-15-12/h4-6,9H,3,7-8H2,1-2H3
InChIKey VKAVOORYKGYBOA-UHFFFAOYSA-N
Molecular Weight 220.268 g/mol
SMILES c12OCC(=O)COc2ccc(c1)C(CC)C
SPLASH splash10-0006-3910000000-dd9e4b883b0f5ee5c5cd
Source of Spectrum H-90-1260-9
Synonyms 7-sec-butyl-1,5-benzodioxepin-3-one
Wiley ID 1590741