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2-(azepan-1-yl)-1-(benzo[d][1,3]dioxol-5-yl)butan-1-one
SpectraBase Compound ID fHufTFRdKY
InChI InChI=1S/C17H23NO3/c1-2-14(18-9-5-3-4-6-10-18)17(19)13-7-8-15-16(11-13)21-12-20-15/h7-8,11,14H,2-6,9-10,12H2,1H3
InChIKey DPMDXDRLNBPDTG-UHFFFAOYSA-N
Mol Weight 289.38 g/mol
Molecular Formula C17H23NO3
Exact Mass 289.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DW3uZKJKjjr
Name 2-(azepan-1-yl)-1-(benzo[d][1,3]dioxol-5-yl)butan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H23NO3
InChI InChI=1S/C17H23NO3/c1-2-14(18-9-5-3-4-6-10-18)17(19)13-7-8-15-16(11-13)21-12-20-15/h7-8,11,14H,2-6,9-10,12H2,1H3
InChIKey DPMDXDRLNBPDTG-UHFFFAOYSA-N
Molecular Weight 289.375 g/mol
SMILES c12c(ccc(c2)C(C(N2CCCCCC2)CC)=O)OCO1
SPLASH splash10-0006-2900000000-6999fda35713291390de
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 1815942