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2-(azetidin-1-yl)-1-(benzo[d][1,3]dioxol-5-yl)pentan-1-one
SpectraBase Compound ID FpViPqZnoRQ
InChI InChI=1S/C15H19NO3/c1-2-4-12(16-7-3-8-16)15(17)11-5-6-13-14(9-11)19-10-18-13/h5-6,9,12H,2-4,7-8,10H2,1H3
InChIKey QBLFGZJPGCQELQ-UHFFFAOYSA-N
Mol Weight 261.32 g/mol
Molecular Formula C15H19NO3
Exact Mass 261.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7mi6q0s9Cg5
Name 2-(azetidin-1-yl)-1-(benzo[d][1,3]dioxol-5-yl)pentan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H19NO3
InChI InChI=1S/C15H19NO3/c1-2-4-12(16-7-3-8-16)15(17)11-5-6-13-14(9-11)19-10-18-13/h5-6,9,12H,2-4,7-8,10H2,1H3
InChIKey QBLFGZJPGCQELQ-UHFFFAOYSA-N
Molecular Weight 261.321 g/mol
SMILES c12c(ccc(c2)C(C(N2CCC2)CCC)=O)OCO1
SPLASH splash10-03di-3900000000-5c3162d92c8ae65d766f
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 1815926