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(+-)-N-Benzyl-(3S,4R,5R)-3,4-(cyclohexylidenedioxy)-5-hydroxy-2-pyrrolidinone
SpectraBase Compound ID BeaUPGvqlq5
InChI InChI=1S/C17H21NO4/c19-15-13-14(22-17(21-13)9-5-2-6-10-17)16(20)18(15)11-12-7-3-1-4-8-12/h1,3-4,7-8,13-15,19H,2,5-6,9-11H2/t13-,14+,15-/m1/s1
InChIKey FFYOZOFROUSIRT-QLFBSQMISA-N
Mol Weight 303.36 g/mol
Molecular Formula C17H21NO4
Exact Mass 303.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3CoL0F818S
Name (+-)-N-Benzyl-(3S,4R,5R)-3,4-(cyclohexylidenedioxy)-5-hydroxy-2-pyrrolidinone
CAS Registry Number 129445-58-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21NO4
InChI InChI=1S/C17H21NO4/c19-15-13-14(22-17(21-13)9-5-2-6-10-17)16(20)18(15)11-12-7-3-1-4-8-12/h1,3-4,7-8,13-15,19H,2,5-6,9-11H2/t13-,14+,15-/m1/s1
InChIKey FFYOZOFROUSIRT-QLFBSQMISA-N
Molecular Weight 303.358 g/mol
SMILES O[C@@]1([C@@]2(OC3(CCCCC3)O[C@@]2(C(N1Cc1ccccc1)=O)[H])[H])[H]
SPLASH splash10-0006-9041000000-f36fc4adfeb2324f3e12
Source of Spectrum C-112-8105-9
Synonyms (3aS,6R,6aR)-5-benzyl-6-hydroxy-tetrahydro-3aH-spiro[[1,3]dioxolo[4,5-c]pyrrole-2,1'-cyclohexane]-4-one
Wiley ID 1305661