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(3aS,4S,5R,6R,6aR)-4-ethenyl-2,2,6-trimethyl-5-oxidanidyl-5-(phenylmethyl)-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-ium

View entire compound with spectra: 1 MS (GC)

(3aS,4S,5R,6R,6aR)-4-ethenyl-2,2,6-trimethyl-5-oxidanidyl-5-(phenylmethyl)-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-ium
SpectraBase Compound ID DL3EzPSkhar
InChI InChI=1S/C17H23NO3/c1-5-14-16-15(20-17(3,4)21-16)12(2)18(14,19)11-13-9-7-6-8-10-13/h5-10,12,14-16H,1,11H2,2-4H3/t12-,14+,15-,16+,18-/m1/s1
InChIKey JLNQPUWXWMNOBP-JLPXDJIOSA-N
Mol Weight 289.38 g/mol
Molecular Formula C17H23NO3
Exact Mass 289.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HFQvP3Gqumz
Name (3aS,4S,5R,6R,6aR)-4-ethenyl-2,2,6-trimethyl-5-oxidanidyl-5-(phenylmethyl)-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-ium
Alternate Name(s) (3aS,4S,5R,6R,6aR)-4-ethenyl-2,2,6-trimethyl-5-oxido-5-(phenylmethyl)-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-ium (3aS,4S,5R,6R,6aR)-5-benzyl-2,2,6-trimethyl-5-oxido-4-vinyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-ium (3aS,4S,5R,6R,6aR)-5-benzyl-4-ethenyl-2,2,6-trimethyl-5-oxido-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-ium
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Formula C17H23NO3
InChI InChI=1S/C17H23NO3/c1-5-14-16-15(20-17(3,4)21-16)12(2)18(14,19)11-13-9-7-6-8-10-13/h5-10,12,14-16H,1,11H2,2-4H3/t12-,14+,15-,16+,18-/m1/s1
InChIKey JLNQPUWXWMNOBP-JLPXDJIOSA-N
Molecular Weight 289.375 g/mol
SMILES [C@@]1([N@@+]([C@@]([C@]2(OC(O[C@@]12[H])(C)C)[H])(C)[H])([O-])Cc1ccccc1)(C=C)[H]
SPLASH splash10-0006-9100000000-55cc5ab20ab8c012b938
Source of Spectrum K1-2001-1305-11
Wiley ID 814525