| SpectraBase Spectrum ID |
FPIDHlyCcP2 |
| Name |
Ethyl cis-2-(1,3-dioxoisoindolin-2-yl)-1-(4-nitrophenyl)cyclopropane-1-carboxylate |
| Appearance |
Orange oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
380.100836237 u |
| Formula |
C20H16N2O6 |
| InChI |
InChI=1S/C20H16N2O6/c1-2-28-19(25)20(12-7-9-13(10-8-12)22(26)27)11-16(20)21-17(23)14-5-3-4-6-15(14)18(21)24/h3-10,16H,2,11H2,1H3/t16-,20-/m1/s1 |
| InChIKey |
CHPFDNVDKTZFEE-OXQOHEQNSA-N |
| Instrument Name |
Finnigan MAT 8200 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jacs.2c02258 |
| Molecular Weight |
380.356 g/mol |
| Optical Rotation |
[a]D20 = -238.1 (c = 1.0, CHCl3) |
| Quality |
112 |
| SMILES |
[C@]1([C@@](C1)(N1C(C2=C(C1=O)C=CC=C2)=O)[H])(C1=CC=C(C=C1)[N+]([O-])=O)C(OCC)=O |
| SPLASH |
splash10-001i-1109000000-37ba1c82b69c03c0f8fd |
| Source of Spectrum |
C-144-SM43-cis-3ka (DOI: 10.1021/jacs.2c02258) |
| Wiley ID |
1910658 |
