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2-(azepan-1-yl)-1-(benzo[d][1,3]dioxol-4-yl)propan-1-one
SpectraBase Compound ID IOxctBGSh9j
InChI InChI=1S/C16H21NO3/c1-12(17-9-4-2-3-5-10-17)15(18)13-7-6-8-14-16(13)20-11-19-14/h6-8,12H,2-5,9-11H2,1H3
InChIKey DEAZVXWKLHITBO-UHFFFAOYSA-N
Mol Weight 275.35 g/mol
Molecular Formula C16H21NO3
Exact Mass 275.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2tBMxBfSQZq
Name 2-(azepan-1-yl)-1-(benzo[d][1,3]dioxol-4-yl)propan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21NO3
InChI InChI=1S/C16H21NO3/c1-12(17-9-4-2-3-5-10-17)15(18)13-7-6-8-14-16(13)20-11-19-14/h6-8,12H,2-5,9-11H2,1H3
InChIKey DEAZVXWKLHITBO-UHFFFAOYSA-N
Molecular Weight 275.348 g/mol
SMILES c12cccc(c2OCO1)C(C(N1CCCCCC1)C)=O
SPLASH splash10-004i-3900000000-a7f0c31257d569b4b038
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 1815941