| SpectraBase Spectrum ID |
6Rega1MClTF |
| Name |
2-Methyl-5-(3,4-methylenedioxyphenyl)-4-nitrocyclohexanone |
| Alternate Name(s) |
5-(1,3-benzodioxol-5-yl)-2-methyl-4-nitrocyclohexanone |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H15NO5 |
| InChI |
InChI=1S/C14H15NO5/c1-8-4-11(15(17)18)10(6-12(8)16)9-2-3-13-14(5-9)20-7-19-13/h2-3,5,8,10-11H,4,6-7H2,1H3 |
| InChIKey |
MIDLDKDPJXGXQU-UHFFFAOYSA-N |
| Molecular Weight |
277.276 g/mol |
| SMILES |
C1(C(CC(C(C1)c1cc2c(cc1)OCO2)N(=O)=O)C)=O |
| SPLASH |
splash10-003r-0090000000-4bd4ac4c32fb2632a093 |
| Source of Spectrum |
SO-0-1243-5 |
| Wiley ID |
1543806 |
