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(1S,2S,3R,4S,5R)-N-Benzyl-2-neopentyl-3,4-O-isopropylidenedioxy-5-methylpyrrolidine-N-Oxide
SpectraBase Compound ID BmVmN10aSCp
InChI InChI=1S/C20H31NO3/c1-14-17-18(24-20(5,6)23-17)16(12-19(2,3)4)21(14,22)13-15-10-8-7-9-11-15/h7-11,14,16-18H,12-13H2,1-6H3/t14-,16-,17-,18+,21+/m1/s1
InChIKey HKEIWQGJSVYAFS-QVWLALMTSA-N
Mol Weight 333.47 g/mol
Molecular Formula C20H31NO3
Exact Mass 333.230394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1inMVG6zfk
Name (1S,2S,3R,4S,5R)-N-Benzyl-2-neopentyl-3,4-O-isopropylidenedioxy-5-methylpyrrolidine-N-Oxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H31NO3
InChI InChI=1S/C20H31NO3/c1-14-17-18(24-20(5,6)23-17)16(12-19(2,3)4)21(14,22)13-15-10-8-7-9-11-15/h7-11,14,16-18H,12-13H2,1-6H3/t14-,16-,17-,18+,21+/m1/s1
InChIKey HKEIWQGJSVYAFS-QVWLALMTSA-N
Molecular Weight 333.472 g/mol
SMILES [C@]1([N@+]([C@@]([C@]2(OC(O[C@@]12[H])(C)C)[H])(C)[H])([O-])Cc1ccccc1)(CC(C)(C)C)[H]
SPLASH splash10-0005-9140000000-0f132d0413c5432b015b
Source of Spectrum K1-2001-1304-12
Synonyms (3aR,4R,5S,6R,6aS)-5-benzyl-2,2,4-trimethyl-6-neopentyltetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrole 5-oxide N-Benzyl-2-neopentyl-3,4-O-isopropylidenedioxy-5-methylpyrrolidine-N-Oxide
Wiley ID 814527