| SpectraBase Spectrum ID |
EUSyOFWq88I |
| Name |
Diethyl 9-oxo-1,5-bis(phenylthio)-3,7-diazabicyclo[3.3.1]nonan-3,7-diethanoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H32N2O5S2 |
| InChI |
InChI=1S/C27H32N2O5S2/c1-3-33-23(30)15-28-17-26(35-21-11-7-5-8-12-21)19-29(16-24(31)34-4-2)20-27(18-28,25(26)32)36-22-13-9-6-10-14-22/h5-14H,3-4,15-20H2,1-2H3/t26-,27+ |
| InChIKey |
LCGPRHGFHMTLDE-MKPDMIMOSA-N |
| Molecular Weight |
528.682 g/mol |
| SMILES |
[C@]12(C([C@@](Sc3ccccc3)(CN(C1)CC(=O)OCC)CN(C2)CC(=O)OCC)=O)Sc1ccccc1 |
| SPLASH |
splash10-0udi-0009000000-94a11e132ed357b67a91 |
| Source of Spectrum |
F-51-2071-21 |
| Synonyms |
ethyl[7-(2-ethoxy-2-oxoethyl)-9-oxo-1,5-bis(phenylsulfanyl)-3,7-diazabicyclo[3.3.1]non-3-yl]acetate |
| Wiley ID |
791078 |
![Diethyl 9-oxo-1,5-bis(phenylthio)-3,7-diazabicyclo[3.3.1]nonan-3,7-diethanoate](/api/spectrum/EUSyOFWq88I/structure.png?h=300&w=458 "Diethyl 9-oxo-1,5-bis(phenylthio)-3,7-diazabicyclo[3.3.1]nonan-3,7-diethanoate")
