| SpectraBase Compound ID | KsEvVxcFHu2 |
|---|---|
| InChI | InChI=1S/C10H11NO3/c1-6-4-7(2)10(11(13)14)9(5-6)8(3)12/h4-5H,1-3H3 |
| InChIKey | PAPZXOOQSYALKZ-UHFFFAOYSA-N |
| Mol Weight | 193.2 g/mol |
| Molecular Formula | C10H11NO3 |
| Exact Mass | 193.073893 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JMFjq0uSbAi |
|---|---|
| Name | Ethanone, 1-(3,5-dimethyl-2-nitrophenyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 193.073893215 u |
| Formula | C10H11NO3 |
| InChI | InChI=1S/C10H11NO3/c1-6-4-7(2)10(11(13)14)9(5-6)8(3)12/h4-5H,1-3H3 |
| InChIKey | PAPZXOOQSYALKZ-UHFFFAOYSA-N |
| Molecular Weight | 193.202 g/mol |
| SMILES | C=1(C(N(=O)=O)=C(C)C=C(C1)C)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.89203 |