| SpectraBase Compound ID | HEJlA1VaBXt |
|---|---|
| InChI | InChI=1S/C10H11NO5/c1-6(12)7-4-9(15-2)10(16-3)5-8(7)11(13)14/h4-5H,1-3H3 |
| InChIKey | ZVLFGESHYMKNQP-UHFFFAOYSA-N |
| Mol Weight | 225.2 g/mol |
| Molecular Formula | C10H11NO5 |
| Exact Mass | 225.063722 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | pLWm27pE24 |
|---|---|
| Name | 2'-Nitro-4',5'-dimethoxyacetophenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.063722453 u |
| Formula | C10H11NO5 |
| InChI | InChI=1S/C10H11NO5/c1-6(12)7-4-9(15-2)10(16-3)5-8(7)11(13)14/h4-5H,1-3H3 |
| InChIKey | ZVLFGESHYMKNQP-UHFFFAOYSA-N |
| Molecular Weight | 225.200 g/mol |
| SMILES | C1(=C(C=C(C(=C1)OC)OC)N(=O)=O)C(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.891928 |