| SpectraBase Spectrum ID |
Bq8DZJNmKVS |
| Name |
(2S,3S,4R,5S)-Methyl 4-nitro-1-[(E)-3-oxobut-1-en-1-yl]-3,5-diphenylpyrrolidine-2-carboxylate |
| Appearance |
Orange foam |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H22N2O5 |
| InChI |
InChI=1S/C22H22N2O5/c1-15(25)13-14-23-19(17-11-7-4-8-12-17)20(24(27)28)18(21(23)22(26)29-2)16-9-5-3-6-10-16/h3-14,18-21H,1-2H3/b14-13+/t18-,19+,20-,21+/m1/s1 |
| InChIKey |
XUVATUNFNDQTKB-GTKHJELASA-N |
| Instrument Name |
Shimadzu QP-5000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/cctc.201902382 |
| Molecular Weight |
394.427 g/mol |
| Optical Rotation |
[a]D25 = 54.0 (c = 1, CHCl3) |
| Reported Formula |
C22H22N2O5 |
| SMILES |
[C@]1(N([C@]([C@@]([C@]1(c1ccccc1)[H])([N+](=O)[O-])[H])(c1ccccc1)[H])\C=C\C(=O)C)(C(OC)=O)[H] |
| SPLASH |
splash10-0002-0239000000-ac02b0256c2e3b847bcc |
| Source of Spectrum |
CCC-12-2020-16 |
| Wiley ID |
1839875 |
![(2S,3S,4R,5S)-Methyl 4-nitro-1-[(E)-3-oxobut-1-en-1-yl]-3,5-diphenylpyrrolidine-2-carboxylate](/api/spectrum/Bq8DZJNmKVS/structure.png?h=300&w=458 "(2S,3S,4R,5S)-Methyl 4-nitro-1-[(E)-3-oxobut-1-en-1-yl]-3,5-diphenylpyrrolidine-2-carboxylate")
