| SpectraBase Compound ID | 7puzKkYf2Ze |
|---|---|
| InChI | InChI=1S/C12H11NO2/c14-13(15)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9H2 |
| InChIKey | MYYRHQQJPSKHBF-UHFFFAOYSA-N |
| Mol Weight | 201.22 g/mol |
| Molecular Formula | C12H11NO2 |
| Exact Mass | 201.078979 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LMBTtyviuQc |
|---|---|
| Name | 1-(2-Nitroethyl)naphthalene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 201.078978596 u |
| Formula | C12H11NO2 |
| InChI | InChI=1S/C12H11NO2/c14-13(15)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9H2 |
| InChIKey | MYYRHQQJPSKHBF-UHFFFAOYSA-N |
| Molecular Weight | 201.225 g/mol |
| SMILES | C(N(=O)=O)CC1=C2C(C=CC=C2)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.966615 |