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(4S,5R)-4-fluoro-5-(3-fluorobutyl)pyrrolidin-2-one
SpectraBase Compound ID jzZXnLUpeS
InChI InChI=1S/C8H13F2NO/c1-5(9)2-3-7-6(10)4-8(12)11-7/h5-7H,2-4H2,1H3,(H,11,12)/t5?,6-,7+/m0/s1
InChIKey AEGRYUMTKWELJB-BOJSHJERSA-N
Mol Weight 177.19 g/mol
Molecular Formula C8H13F2NO
Exact Mass 177.09652 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bqdq3vOnmok
Name (4S,5R)-4-fluoro-5-(3-fluorobutyl)pyrrolidin-2-one
Appearance Pale-yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 177.096520368 u
Formula C8H13F2NO
InChI InChI=1S/C8H13F2NO/c1-5(9)2-3-7-6(10)4-8(12)11-7/h5-7H,2-4H2,1H3,(H,11,12)/t5?,6-,7+/m0/s1
InChIKey AEGRYUMTKWELJB-BOJSHJERSA-N
Instrument Name Thermo Finnigan Polaris Q
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201900685
Molecular Weight 177.195 g/mol
Quality 155
Reported Formula C8H13F2NO
SMILES N1[C@@]([C@](CC1=O)(F)[H])(CCC(C)F)[H]
SPLASH splash10-0560-9600000000-3f131d4a4f96f0c15f94
Source of Spectrum K1-2019-4719-6 (DOI: 10.1002/ejoc.201900685)
Wiley ID 1891985