| SpectraBase Compound ID | F4vRTVAexob |
|---|---|
| InChI | InChI=1S/C11H11NO5/c1-7(13)2-3-8-4-10-11(17-6-16-10)5-9(8)12(14)15/h4-5H,2-3,6H2,1H3 |
| InChIKey | ZEDRNJMTGPWKKD-UHFFFAOYSA-N |
| Mol Weight | 237.21 g/mol |
| Molecular Formula | C11H11NO5 |
| Exact Mass | 237.063722 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6JSVNs8vO39 |
|---|---|
| Name | 2-Butanone, 4-(6-nitro-1,3-benzodioxol-5-yl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.063722453 u |
| Formula | C11H11NO5 |
| InChI | InChI=1S/C11H11NO5/c1-7(13)2-3-8-4-10-11(17-6-16-10)5-9(8)12(14)15/h4-5H,2-3,6H2,1H3 |
| InChIKey | ZEDRNJMTGPWKKD-UHFFFAOYSA-N |
| Molecular Weight | 237.211 g/mol |
| SMILES | C1=C(N(=O)=O)C(CCC(C)=O)=CC2=C1OCO2 |