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1-(benzo[d][1,3]dioxol-5-yl)-2-(3-methylpyrrolidin-1-yl)butan-1-one
SpectraBase Compound ID KdixaRF5vfN
InChI InChI=1S/C16H21NO3/c1-3-13(17-7-6-11(2)9-17)16(18)12-4-5-14-15(8-12)20-10-19-14/h4-5,8,11,13H,3,6-7,9-10H2,1-2H3
InChIKey QOKDDCWOUFVINB-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 LL3hwRceP5k
Name 1-(benzo[d][1,3]dioxol-5-yl)-2-(3-methylpyrrolidin-1-yl)butan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21NO3
InChI InChI=1S/C16H21NO3/c1-3-13(17-7-6-11(2)9-17)16(18)12-4-5-14-15(8-12)20-10-19-14/h4-5,8,11,13H,3,6-7,9-10H2,1-2H3
InChIKey QOKDDCWOUFVINB-UHFFFAOYSA-N
Molecular Weight 275.348 g/mol
SMILES c12c(ccc(c2)C(C(N2CCC(C2)C)CC)=O)OCO1
SPLASH splash10-004i-3900000000-165b0a51ab445f1a16d5
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 1815934