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2-(azetidin-1-yl)-1-(benzo[d][1,3]dioxol-5-yl)hexan-1-one
SpectraBase Compound ID 9dqvliyBcmd
InChI InChI=1S/C16H21NO3/c1-2-3-5-13(17-8-4-9-17)16(18)12-6-7-14-15(10-12)20-11-19-14/h6-7,10,13H,2-5,8-9,11H2,1H3
InChIKey GYENPSQJCXLFBJ-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 qCmaDHuxNv
Name 2-(azetidin-1-yl)-1-(benzo[d][1,3]dioxol-5-yl)hexan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21NO3
InChI InChI=1S/C16H21NO3/c1-2-3-5-13(17-8-4-9-17)16(18)12-6-7-14-15(10-12)20-11-19-14/h6-7,10,13H,2-5,8-9,11H2,1H3
InChIKey GYENPSQJCXLFBJ-UHFFFAOYSA-N
Molecular Weight 275.348 g/mol
SMILES c12c(ccc(c2)C(C(N2CCC2)CCCC)=O)OCO1
SPLASH splash10-004i-4900000000-925aecc8ef71553beba1
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 1815927