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(1R,4R,5S)-methyl 4-hydroxy-2-(naphthalen-2-ylsulfonyl)-3-oxo-2-azabicyclo[2.2.2]oct-7-ene-5-carboxylate
SpectraBase Compound ID 6btHOJDTek5
InChI InChI=1S/C19H17NO6S/c1-26-17(21)16-11-14-8-9-19(16,23)18(22)20(14)27(24,25)15-7-6-12-4-2-3-5-13(12)10-15/h2-10,14,16,23H,11H2,1H3/t14-,16+,19+/m0/s1
InChIKey NIEKEUOTSVVVOQ-ZSZQSSIHSA-N
Mol Weight 387.41 g/mol
Molecular Formula C19H17NO6S
Exact Mass 387.077658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BWFR9636bnf
Name (1R,4R,5S)-methyl 4-hydroxy-2-(naphthalen-2-ylsulfonyl)-3-oxo-2-azabicyclo[2.2.2]oct-7-ene-5-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17NO6S
InChI InChI=1S/C19H17NO6S/c1-26-17(21)16-11-14-8-9-19(16,23)18(22)20(14)27(24,25)15-7-6-12-4-2-3-5-13(12)10-15/h2-10,14,16,23H,11H2,1H3/t14-,16+,19+/m0/s1
InChIKey NIEKEUOTSVVVOQ-ZSZQSSIHSA-N
Literature Reference DOI 10.1002/hlca.200390320
Molecular Weight 387.406 g/mol
SMILES O[C@]12[C@](C[C@](C=C2)(N(C1=O)S(=O)(c1cc2c(cc1)cccc2)=O)[H])(C(OC)=O)[H]
SPLASH splash10-0fcs-8910000000-ee23a8e07fd72d6a8786
Source of Spectrum H-86-3807-(+/_)_28
Synonyms Methyl (1R,4R,5S)-4-hydroxy-2-(naphthalen-2-ylsulfonyl)-3-oxo-2-azabicyclo[2.2.2]oct-7-ene-5-carboxylate
Wiley ID 1785351