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(1S,2S,3R,4S,5R)-N-Benzyl-2-isobutyl-3,4-O-isopropylidenedioxy-5-methylpyrrolidine-N-Oxide
SpectraBase Compound ID 6sC9LAjKVqS
InChI InChI=1S/C19H29NO3/c1-13(2)11-16-18-17(22-19(4,5)23-18)14(3)20(16,21)12-15-9-7-6-8-10-15/h6-10,13-14,16-18H,11-12H2,1-5H3/t14-,16-,17-,18+,20+/m1/s1
InChIKey PCSFSYPPJQMWTG-QHXZYPQMSA-N
Mol Weight 319.45 g/mol
Molecular Formula C19H29NO3
Exact Mass 319.214744 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ER1jOFhKK1n
Name (1S,2S,3R,4S,5R)-N-Benzyl-2-isobutyl-3,4-O-isopropylidenedioxy-5-methylpyrrolidine-N-Oxide
Alternate Name(s) (3aS,4R,5S,6R,6aR)-5-benzyl-4-isobutyl-2,2,6-trimethyltetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrole 5-oxide N-Benzyl-2-isobutyl-3,4-O-isopropylidenedioxy-5-methylpyrrolidine-N-Oxide
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Formula C19H29NO3
InChI InChI=1S/C19H29NO3/c1-13(2)11-16-18-17(22-19(4,5)23-18)14(3)20(16,21)12-15-9-7-6-8-10-15/h6-10,13-14,16-18H,11-12H2,1-5H3/t14-,16-,17-,18+,20+/m1/s1
InChIKey PCSFSYPPJQMWTG-QHXZYPQMSA-N
Molecular Weight 319.445 g/mol
SMILES [C@]1([N@+]([C@@]([C@]2(OC(O[C@@]12[H])(C)C)[H])(C)[H])([O-])Cc1ccccc1)(CC(C)C)[H]
SPLASH splash10-0006-9050000000-ef88351391996e66f5eb
Source of Spectrum K1-2001-1304-12
Wiley ID 814528