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N-(ethoxycarbonyl)-7-(phenylsulfonyl)-3-endo-(3-hydroxypropyl)-2-azabicyclo[2.2.2]oct-5-ene

View entire compound with spectra: 1 MS (GC)

N-(ethoxycarbonyl)-7-(phenylsulfonyl)-3-endo-(3-hydroxypropyl)-2-azabicyclo[2.2.2]oct-5-ene
SpectraBase Compound ID DptZOTiP7sZ
InChI InChI=1S/C19H25NO5S/c1-2-25-19(22)20-16(9-6-12-21)14-10-11-17(20)18(13-14)26(23,24)15-7-4-3-5-8-15/h3-5,7-8,10-11,14,16-18,21H,2,6,9,12-13H2,1H3/t14-,16?,17+,18?/m0/s1
InChIKey BOJYQCUSXNDPKZ-FQXVJMBOSA-N
Mol Weight 379.47 g/mol
Molecular Formula C19H25NO5S
Exact Mass 379.145344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 69gQHIxOnb1
Name N-(ethoxycarbonyl)-7-(phenylsulfonyl)-3-endo-(3-hydroxypropyl)-2-azabicyclo[2.2.2]oct-5-ene
CAS Registry Number 96152-04-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25NO5S
InChI InChI=1S/C19H25NO5S/c1-2-25-19(22)20-16(9-6-12-21)14-10-11-17(20)18(13-14)26(23,24)15-7-4-3-5-8-15/h3-5,7-8,10-11,14,16-18,21H,2,6,9,12-13H2,1H3/t14-,16?,17+,18?/m0/s1
InChIKey BOJYQCUSXNDPKZ-FQXVJMBOSA-N
Molecular Weight 379.471 g/mol
SMILES OCCCC1[C@@]2(CC(S(=O)(=O)c3ccccc3)[C@](N1C(=O)OCC)(C=C2)[H])[H]
SPLASH splash10-0udi-3900000000-627f854db15b4f12bfe5
Source of Spectrum J-50-1894-7
Synonyms ethyl 3-(3-hydroxypropyl)-7-(phenylsulfonyl)-2-azabicyclo[2.2.2]oct-5-ene-2-carboxylate
Wiley ID 1359227