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3R*,4S*-1-Hydroxy-3-isobutyl-4-[4-(3-methyl-2-butenyloxy)phenyl]pyrrolidine-2,5-dione
SpectraBase Compound ID 7ir56fMHQQI
InChI InChI=1S/C19H25NO4/c1-12(2)9-10-24-15-7-5-14(6-8-15)17-16(11-13(3)4)18(21)20(23)19(17)22/h5-9,13,16-17,23H,10-11H2,1-4H3/t16-,17-/m1/s1
InChIKey ZZKUVVFNFOKVQE-IAGOWNOFSA-N
Mol Weight 331.41 g/mol
Molecular Formula C19H25NO4
Exact Mass 331.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L8j8POOGSte
Name 3R*,4S*-1-Hydroxy-3-isobutyl-4-[4-(3-methyl-2-butenyloxy)phenyl]pyrrolidine-2,5-dione
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25NO4
InChI InChI=1S/C19H25NO4/c1-12(2)9-10-24-15-7-5-14(6-8-15)17-16(11-13(3)4)18(21)20(23)19(17)22/h5-9,13,16-17,23H,10-11H2,1-4H3/t16-,17-/m1/s1
InChIKey ZZKUVVFNFOKVQE-IAGOWNOFSA-N
Instrument Name JEOL JMS-AX 505 HAD
Ionization Type EI
Literature Reference DOI 10.1021/np030293k
Molecular Weight 331.412 g/mol
Optical Rotation [a]D23 = +2.5 (c = 0.2, MeOH)
Reported Formula C19H25NO4
SMILES ON1C([C@@]([C@@](c2ccc(cc2)OCC=C(C)C)(C1=O)[H])(CC(C)C)[H])=O
SPLASH splash10-07w9-6980000000-bc40908da085e4638343
Source of Spectrum G4-67-48-4
Wiley ID 1881528