| SpectraBase Spectrum ID |
AhAKQ8Ooe98 |
| Name |
(2S,3S,4R,5S)-Methyl 1-[(S)-2-chloropropanoyl]-4-nitro-3,5-diphenylpyrrolidine-2-carboxylate |
| Appearance |
White foam |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H21ClN2O5 |
| InChI |
InChI=1S/C21H21ClN2O5/c1-13(22)20(25)23-17(15-11-7-4-8-12-15)18(24(27)28)16(19(23)21(26)29-2)14-9-5-3-6-10-14/h3-13,16-19H,1-2H3/t13-,16+,17-,18+,19-/m0/s1 |
| InChIKey |
HNRIMSDCAWQNSU-OPWSAZDFSA-N |
| Instrument Name |
Shimadzu QP-5000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/cctc.201902382 |
| Molecular Weight |
416.861 g/mol |
| Optical Rotation |
[a]D26 = 6.2 (c = 1, CHCl3) |
| SMILES |
[C@]1(N([C@]([C@@]([C@]1(c1ccccc1)[H])([N+](=O)[O-])[H])(c1ccccc1)[H])C([C@](C)(Cl)[H])=O)(C(OC)=O)[H] |
| SPLASH |
splash10-00e9-0293000000-fdf6e44e90ebfb694171 |
| Sample Comments |
rotameric mixture (1:1) |
| Source of Spectrum |
CCC-12-2020-20 |
| Wiley ID |
1839879 |
![(2S,3S,4R,5S)-Methyl 1-[(S)-2-chloropropanoyl]-4-nitro-3,5-diphenylpyrrolidine-2-carboxylate](/api/spectrum/AhAKQ8Ooe98/structure.png?h=300&w=458 "(2S,3S,4R,5S)-Methyl 1-[(S)-2-chloropropanoyl]-4-nitro-3,5-diphenylpyrrolidine-2-carboxylate")
