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(4R,5S)-N-Butyl-3-pentyl-4-(3'-hydroxypent-3'-yl)-pyrrolidine-2,5-dione
SpectraBase Compound ID 4TBv0UKQYF7
InChI InChI=1S/C18H33NO3/c1-5-9-11-12-14-15(18(22,7-3)8-4)17(21)19(16(14)20)13-10-6-2/h14-15,22H,5-13H2,1-4H3/t14-,15-/m0/s1
InChIKey LGDSDWJVKBETME-GJZGRUSLSA-N
Mol Weight 311.5 g/mol
Molecular Formula C18H33NO3
Exact Mass 311.246044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 81B6iWq7lOb
Name (4R,5S)-N-Butyl-3-pentyl-4-(3'-hydroxypent-3'-yl)-pyrrolidine-2,5-dione
Alternate Name(s) (3R,4S)-1-butyl-3-(1-ethyl-1-hydroxypropyl)-4-pentyl-2,5-pyrrolidinedione (3S,4R)-N-Butyl-3-pentyl-4-(3'-hydroxypent-3'-yl)-pyrrolidine-2,5-dione N-Butyl-3-pentyl-4-(3'-hydroxypent-3'-yl)-pyrrolidine-2,5-dione
Comments Less than 3 mono-isotopic peaks
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Formula C18H33NO3
InChI InChI=1S/C18H33NO3/c1-5-9-11-12-14-15(18(22,7-3)8-4)17(21)19(16(14)20)13-10-6-2/h14-15,22H,5-13H2,1-4H3/t14-,15-/m0/s1
InChIKey LGDSDWJVKBETME-GJZGRUSLSA-N
Molecular Weight 311.466 g/mol
SMILES OC([C@@]1(C(N(C([C@]1(CCCCC)[H])=O)CCCC)=O)[H])(CC)CC
SPLASH splash10-001i-0090000000-66ab7e8011b45d93690a
Source of Spectrum D1-200-1621-6
Wiley ID 835539