| SpectraBase Compound ID | CK70jaFeOhd |
|---|---|
| InChI | InChI=1S/C10H11NO4/c12-11(13)9-4-2-8(3-5-9)10-14-6-1-7-15-10/h2-5,10H,1,6-7H2 |
| InChIKey | BNIKCZNNRBDPAY-UHFFFAOYSA-N |
| Mol Weight | 209.2 g/mol |
| Molecular Formula | C10H11NO4 |
| Exact Mass | 209.068808 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9RtNtfIKDZS |
|---|---|
| Name | 2-(para-Nitrophenyl)-1,3-dioxane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 209.068807834 u |
| Formula | C10H11NO4 |
| InChI | InChI=1S/C10H11NO4/c12-11(13)9-4-2-8(3-5-9)10-14-6-1-7-15-10/h2-5,10H,1,6-7H2 |
| InChIKey | BNIKCZNNRBDPAY-UHFFFAOYSA-N |
| Molecular Weight | 209.201 g/mol |
| SMILES | C1(OCCCO1)C1=CC=C(C=C1)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.95739 |