| SpectraBase Spectrum ID |
8RQ7M5XXRZY |
| Name |
(2S,3R,6R)-3-ethyl-1-(2-hydroxyethyl)-2,6-bis(3-nitrophenyl)piperidin-4-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H23N3O6 |
| InChI |
InChI=1S/C21H23N3O6/c1-2-18-20(26)13-19(14-5-3-7-16(11-14)23(27)28)22(9-10-25)21(18)15-6-4-8-17(12-15)24(29)30/h3-8,11-12,18-19,21,25H,2,9-10,13H2,1H3/t18-,19+,21+/m0/s1 |
| InChIKey |
AXIQVGBOERUWHT-QKNQBKEWSA-N |
| Molecular Weight |
413.430 g/mol |
| SMILES |
OCCN1[C@@]([C@](C(C[C@@]1(c1cc(ccc1)[N+](=O)[O-])[H])=O)(CC)[H])(c1cc(ccc1)[N+](=O)[O-])[H] |
| SPLASH |
splash10-01ot-0912000000-e399ecb5117812686d48 |
| Source of Spectrum |
CJC-30-1508-4m |
| Wiley ID |
1772745 |
