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

View entire compound with spectra: 1 MS (GC)

(3aS,4R,5R,6R,6aR)-2,2,6-trimethyl-5-oxidanidyl-4,5-bis(phenylmethyl)-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-ium
SpectraBase Compound ID Aii0nNTFHv0
InChI InChI=1S/C22H27NO3/c1-16-20-21(26-22(2,3)25-20)19(14-17-10-6-4-7-11-17)23(16,24)15-18-12-8-5-9-13-18/h4-13,16,19-21H,14-15H2,1-3H3/t16-,19-,20-,21+,23-/m1/s1
InChIKey LLRGGJHETUOTMS-MMKNMNOBSA-N
Mol Weight 353.46 g/mol
Molecular Formula C22H27NO3
Exact Mass 353.199094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FHDs82c9c0Q
Name (3aS,4R,5R,6R,6aR)-2,2,6-trimethyl-5-oxidanidyl-4,5-bis(phenylmethyl)-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-ium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27NO3
InChI InChI=1S/C22H27NO3/c1-16-20-21(26-22(2,3)25-20)19(14-17-10-6-4-7-11-17)23(16,24)15-18-12-8-5-9-13-18/h4-13,16,19-21H,14-15H2,1-3H3/t16-,19-,20-,21+,23-/m1/s1
InChIKey LLRGGJHETUOTMS-MMKNMNOBSA-N
Molecular Weight 353.462 g/mol
SMILES [C@]1([N@@+]([C@@]([C@]2(OC(O[C@@]12[H])(C)C)[H])(C)[H])([O-])Cc1ccccc1)(Cc1ccccc1)[H]
SPLASH splash10-0007-8590000000-6918cc936ce2930ca993
Source of Spectrum K1-2001-1305-12
Synonyms (3aS,4R,5R,6R,6aR)-2,2,6-trimethyl-5-oxido-4,5-bis(phenylmethyl)-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-ium (3aS,4R,5R,6R,6aR)-4,5-dibenzyl-2,2,6-trimethyl-5-oxido-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-ium
Wiley ID 814523