| SpectraBase Compound ID | 8NmQfVOrQMn |
|---|---|
| InChI | InChI=1S/C9H9NO4/c11-10(12)8-3-1-7(2-4-8)9-13-5-6-14-9/h1-4,9H,5-6H2 |
| InChIKey | RIXYVXYKLYQCSM-UHFFFAOYSA-N |
| Mol Weight | 195.17 g/mol |
| Molecular Formula | C9H9NO4 |
| Exact Mass | 195.053158 g/mol |
| SpectraBase Spectrum ID | 5iMU5MKGHH4 |
|---|---|
| Name | 2-(4-Nitrophenyl)-1,3-dioxolane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 195.053157770 u |
| Formula | C9H9NO4 |
| InChI | InChI=1S/C9H9NO4/c11-10(12)8-3-1-7(2-4-8)9-13-5-6-14-9/h1-4,9H,5-6H2 |
| InChIKey | RIXYVXYKLYQCSM-UHFFFAOYSA-N |
| Molecular Weight | 195.174 g/mol |
| SMILES | C1(OCCO1)C1=CC=C(C=C1)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.934705 |