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1-(benzo[d][1,3]dioxol-4-yl)hexan-1-one
SpectraBase Compound ID FYiXaw4y8VD
InChI InChI=1S/C13H16O3/c1-2-3-4-7-11(14)10-6-5-8-12-13(10)16-9-15-12/h5-6,8H,2-4,7,9H2,1H3
InChIKey POEQQBGGSLGLEC-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 H9AvYKTj48x
Name 1-(benzo[d][1,3]dioxol-4-yl)hexan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-2-3-4-7-11(14)10-6-5-8-12-13(10)16-9-15-12/h5-6,8H,2-4,7,9H2,1H3
InChIKey POEQQBGGSLGLEC-UHFFFAOYSA-N
Molecular Weight 220.268 g/mol
SMILES c12cccc(c2OCO1)C(CCCCC)=O
SPLASH splash10-01ot-2900000000-c3ab82b81520cff01bee
Source of Spectrum Professor Randall Clark, Department: Drug Discovery and Development, Auburn University, Harrison School of Pharmacy, 3306 Walker Building, Auburn, AL 36849
Wiley ID 1815907