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

SpectraBase Compound ID	77Q0EDXdKGv
InChI	InChI=1S/C19H24ClNO4S/c1-2-25-19(22)21-16(9-6-12-20)14-10-11-17(21)18(13-14)26(23,24)15-7-4-3-5-8-15/h3-5,7-8,10-11,14,16-18H,2,6,9,12-13H2,1H3/t14-,16?,17+,18?/m0/s1
InChIKey	JEDRVRIQRLFUOY-FQXVJMBOSA-N Google Search
Mol Weight	397.92 g/mol
Molecular Formula	C19H24ClNO4S
Exact Mass	397.111457 g/mol

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SpectraBase Spectrum ID	HRp4Pm2lEyz
Name	N-(ethoxycarbonyl)-7-(phenylsulfonyl)-3-(3-chloropropyl)-2-azabicyclo[2.2.2]oct-5-ene
CAS Registry Number	96152-06-6
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C19H24ClNO4S
InChI	InChI=1S/C19H24ClNO4S/c1-2-25-19(22)21-16(9-6-12-20)14-10-11-17(21)18(13-14)26(23,24)15-7-4-3-5-8-15/h3-5,7-8,10-11,14,16-18H,2,6,9,12-13H2,1H3/t14-,16?,17+,18?/m0/s1
InChIKey	JEDRVRIQRLFUOY-FQXVJMBOSA-N
Molecular Weight	397.917 g/mol
SMILES	C1(S(=O)(=O)c2ccccc2)[C@@]2(N(C(=O)OCC)C([C@](C1)(C=C2)[H])CCCCl)[H]
SPLASH	splash10-0udi-4900000000-3643de37d569ede7d135
Source of Spectrum	J-50-1894-7
Synonyms	ethyl 3-(3-chloropropyl)-7-(phenylsulfonyl)-2-azabicyclo[2.2.2]oct-5-ene-2-carboxylate
Wiley ID	1367901