| SpectraBase Spectrum ID |
BOERpmWGEGZ |
| Name |
(6S,7R,8S,8aS)-2-Methyl-7-nitro-6,8-diphenylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione |
| Appearance |
Yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H19N3O4 |
| InChI |
InChI=1S/C20H19N3O4/c1-21-12-15(24)22-17(14-10-6-3-7-11-14)18(23(26)27)16(19(22)20(21)25)13-8-4-2-5-9-13/h2-11,16-19H,12H2,1H3/t16-,17+,18-,19+/m1/s1 |
| InChIKey |
XGOLYDYSHDOALO-HCXYKTFWSA-N |
| Instrument Name |
Shimadzu QP-5000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/cctc.201902382 |
| Molecular Weight |
365.389 g/mol |
| Optical Rotation |
[a]D25 = 417 (c = 0.6, CHCl3) |
| Reported Formula |
C20H19N3O4 |
| SMILES |
[C@]12(N([C@]([C@@]([C@]2(c2ccccc2)[H])([N+](=O)[O-])[H])(c2ccccc2)[H])C(CN(C1=O)C)=O)[H] |
| SPLASH |
splash10-014i-0419000000-a974f26ba1996bb7e64c |
| Source of Spectrum |
CCC-12-2020-19 |
| Wiley ID |
1839878 |
![(6S,7R,8S,8aS)-2-Methyl-7-nitro-6,8-diphenylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione](/api/spectrum/BOERpmWGEGZ/structure.png?h=300&w=458 "(6S,7R,8S,8aS)-2-Methyl-7-nitro-6,8-diphenylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione")
