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(1S),2(R),8(R),8a(S)-8-(Benzoyloxy)-1,2-(isopropylidenedioxy)octahydro-5-indolizidinone
SpectraBase Compound ID arJEClZnVr
InChI InChI=1S/C18H21NO5/c1-18(2)23-13-10-19-14(20)9-8-12(15(19)16(13)24-18)22-17(21)11-6-4-3-5-7-11/h3-7,12-13,15-16H,8-10H2,1-2H3/t12-,13-,15+,16-/m1/s1
InChIKey XLXLGPYYLQAXKI-LUYZLQTOSA-N
Mol Weight 331.37 g/mol
Molecular Formula C18H21NO5
Exact Mass 331.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HVKrO5mBLRa
Name (1S),2(R),8(R),8a(S)-8-(Benzoyloxy)-1,2-(isopropylidenedioxy)octahydro-5-indolizidinone
Alternate Name(s) (3aR,9R,9aS,9bS)-2,2-dimethyl-6-oxooctahydro[1,3]dioxolo[4,5-a]indolizin-9-yl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21NO5
InChI InChI=1S/C18H21NO5/c1-18(2)23-13-10-19-14(20)9-8-12(15(19)16(13)24-18)22-17(21)11-6-4-3-5-7-11/h3-7,12-13,15-16H,8-10H2,1-2H3/t12-,13-,15+,16-/m1/s1
InChIKey XLXLGPYYLQAXKI-LUYZLQTOSA-N
Molecular Weight 331.368 g/mol
SMILES [C@@]12(N(C[C@]3(OC(O[C@@]23[H])(C)C)[H])C(CC[C@]1(OC(=O)c1ccccc1)[H])=O)[H]
SPLASH splash10-0a4i-0940000000-0d8eba788eef28353d19
Source of Spectrum J-58-6088-25
Wiley ID 1328708