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(4R,5R)-5-Butyl-4-fluoropyrrolidin-2-one
SpectraBase Compound ID AoiqBAMVYRf
InChI InChI=1S/C8H14FNO/c1-2-3-4-7-6(9)5-8(11)10-7/h6-7H,2-5H2,1H3,(H,10,11)/t6-,7-/m1/s1
InChIKey NSPCIHUIVZZSJN-RNFRBKRXSA-N
Mol Weight 159.2 g/mol
Molecular Formula C8H14FNO
Exact Mass 159.105942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LkAmjJyoAoo
Name (4R,5R)-5-Butyl-4-fluoropyrrolidin-2-one
Appearance Semi-solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 159.105942237 u
Formula C8H14FNO
InChI InChI=1S/C8H14FNO/c1-2-3-4-7-6(9)5-8(11)10-7/h6-7H,2-5H2,1H3,(H,10,11)/t6-,7-/m1/s1
InChIKey NSPCIHUIVZZSJN-RNFRBKRXSA-N
Instrument Name Thermo Finnigan Polaris Q
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201900685
Molecular Weight 159.204 g/mol
Optical Rotation [a]D25 = -240.8 (c = 0.5, CHCl3)
Quality 87
Reported Formula C8H14FNO
SMILES N1[C@@]([C@@](CC1=O)(F)[H])(CCCC)[H]
SPLASH splash10-053r-9200000000-c8d42a242194eafd853b
Source of Spectrum K1-2019-4718-(4R,5R)-2n (DOI: 10.1002/ejoc.201900685)
Wiley ID 1891970