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2-Azabicyclo[2.2.2]octane-2-carboxylic acid, 5-hydroxy-3-(hydroxymethyl)-, phenylmethyl ester, (1.alpha.,3.alpha.,4.alpha.,5.beta.)-

View entire compound with spectra: 1 MS (GC)

2-Azabicyclo[2.2.2]octane-2-carboxylic acid, 5-hydroxy-3-(hydroxymethyl)-, phenylmethyl ester, (1.alpha.,3.alpha.,4.alpha.,5.beta.)-
SpectraBase Compound ID FC23YrpWbGW
InChI InChI=1S/C16H21NO4/c18-9-14-13-7-6-12(8-15(13)19)17(14)16(20)21-10-11-4-2-1-3-5-11/h1-5,12-15,18-19H,6-10H2/t12-,13-,14-,15-/m0/s1
InChIKey PSDHBGYMMGZHDW-AJNGGQMLSA-N
Mol Weight 291.35 g/mol
Molecular Formula C16H21NO4
Exact Mass 291.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H9wXTkJEuTh
Name 2-Azabicyclo[2.2.2]octane-2-carboxylic acid, 5-hydroxy-3-(hydroxymethyl)-, phenylmethyl ester, (1.alpha.,3.alpha.,4.alpha.,5.beta.)-
CAS Registry Number 65961-27-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21NO4
InChI InChI=1S/C16H21NO4/c18-9-14-13-7-6-12(8-15(13)19)17(14)16(20)21-10-11-4-2-1-3-5-11/h1-5,12-15,18-19H,6-10H2/t12-,13-,14-,15-/m0/s1
InChIKey PSDHBGYMMGZHDW-AJNGGQMLSA-N
Molecular Weight 291.347 g/mol
SMILES O[C@]1(C[C@]2(N([C@@](CO)([C@]1([H])CC2)[H])C(OCc1ccccc1)=O)[H])[H]
SPLASH splash10-02mi-0590000000-a055ddf032fd61bcf395
Source of Spectrum KC-1977-2346-0
Synonyms 2-Benzyloxycarbonyl-3-hydroxymethyl-2-azabicyclo[2.2.2]octan-5-ol benzyl (1S,3R,4S,5S)-5-hydroxy-3-(hydroxymethyl)-2-azabicyclo[2.2.2]octane-2-carboxylate
Wiley ID 1294556