| SpectraBase Spectrum ID |
HRp4Pm2lEyz |
| Name |
N-(ethoxycarbonyl)-7-(phenylsulfonyl)-3-(3-chloropropyl)-2-azabicyclo[2.2.2]oct-5-ene |
| Alternate Name(s) |
ethyl 3-(3-chloropropyl)-7-(phenylsulfonyl)-2-azabicyclo[2.2.2]oct-5-ene-2-carboxylate |
| 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 |
| Wiley ID |
1367901 |
![N-(ethoxycarbonyl)-7-(phenylsulfonyl)-3-(3-chloropropyl)-2-azabicyclo[2.2.2]oct-5-ene](/api/spectrum/HRp4Pm2lEyz/structure.png?h=300&w=458 "N-(ethoxycarbonyl)-7-(phenylsulfonyl)-3-(3-chloropropyl)-2-azabicyclo[2.2.2]oct-5-ene")
