| SpectraBase Spectrum ID |
LK5HBgH1gNH |
| Name |
2,6-Dimethyl-5-(4-nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione |
| Alternate Name(s) |
2,5-dimethyl-6-(4-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H16N2O4 |
| InChI |
InChI=1S/C16H16N2O4/c1-9-7-13-14(16(20)17(2)15(13)19)8-12(9)10-3-5-11(6-4-10)18(21)22/h3-6,13-14H,7-8H2,1-2H3 |
| InChIKey |
CXGMPYVNONJXLR-UHFFFAOYSA-N |
| Molecular Weight |
300.314 g/mol |
| SMILES |
C1(N(C(C2CC(=C(CC12)C)c1ccc(cc1)N(=O)=O)=O)C)=O |
| SPLASH |
splash10-0udi-0049000000-04d6797354922434c12b |
| Source of Spectrum |
F-57-10353-13 |
| Wiley ID |
1626866 |
