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(+-)-N-Benzyl-(3S,4R,5S)-3,4-(cyclohexylidenedioxy)-5-hydroxy-2-pyrrolidinone
SpectraBase Compound ID 5XkMpec6GgO
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-ILXRZTDVSA-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 3qdsFlufzXv
Name (+-)-N-Benzyl-(3S,4R,5S)-3,4-(cyclohexylidenedioxy)-5-hydroxy-2-pyrrolidinone
Alternate Name(s) (3aS,6S,6aR)-5-benzyl-6-hydroxy-tetrahydro-3aH-spiro[[1,3]dioxolo[4,5-c]pyrrole-2,1'-cyclohexane]-4-one (3aS,6S,6aR)-6-hydroxy-5-(phenylmethyl)-4-spiro[6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrole-2,1'-cyclohexane]one (3aS,6S,6aR)-5-benzyl-6-hydroxyspiro[6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrole-2,1'-cyclohexane]-4-one (3aS,6S,6aR)-6-oxidanyl-5-(phenylmethyl)spiro[6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrole-2,1'-cyclohexane]-4-one
CAS Registry Number 129390-43-8
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-ILXRZTDVSA-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 splash10-01ox-9163000000-377119d8f3208ff5d272
Source of Spectrum C-112-8106-9
Wiley ID 1305662