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1-[1-[(1R)-4-chloro-1-methyl-butyl]pyrrol-2-yl]butan-1-one
SpectraBase Compound ID 59UiEmfW9Gy
InChI InChI=1S/C13H20ClNO/c1-3-6-13(16)12-8-5-10-15(12)11(2)7-4-9-14/h5,8,10-11H,3-4,6-7,9H2,1-2H3/t11-/m1/s1
InChIKey DSDCEKPAVYFJOQ-LLVKDONJSA-N
Mol Weight 241.76 g/mol
Molecular Formula C13H20ClNO
Exact Mass 241.123342 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9k3saYuitc
Name 1-[1-[(1R)-4-chloro-1-methyl-butyl]pyrrol-2-yl]butan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20ClNO
InChI InChI=1S/C13H20ClNO/c1-3-6-13(16)12-8-5-10-15(12)11(2)7-4-9-14/h5,8,10-11H,3-4,6-7,9H2,1-2H3/t11-/m1/s1
InChIKey DSDCEKPAVYFJOQ-LLVKDONJSA-N
Molecular Weight 241.762 g/mol
SMILES c1([n](ccc1)[C@@](CCCCl)(C)[H])C(=O)CCC
SPLASH splash10-0006-4970000000-215cd916c0a1e5cc0d9e
Source of Spectrum J-59-2465-52
Synonyms 1-[1-[(2R)-5-chloranylpentan-2-yl]pyrrol-2-yl]butan-1-one 1-[1-[(2R)-5-chloropentan-2-yl]-2-pyrrolyl]-1-butanone 1-[1-[(2R)-5-chloropentan-2-yl]pyrrol-2-yl]butan-1-one
Wiley ID 1244078