| SpectraBase Compound ID | 7qiWpfCBuUg |
|---|---|
| InChI | InChI=1S/C8H11NO2/c9-8-3-6(4-10)1-2-7(8)5-11/h1-3,10-11H,4-5,9H2 |
| InChIKey | QFZLASKKELYJOJ-UHFFFAOYSA-N |
| Mol Weight | 153.18 g/mol |
| Molecular Formula | C8H11NO2 |
| Exact Mass | 153.078979 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LYYeBuduV59 |
|---|---|
| Name | Benzenamine, 2,5-dihydromethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 153.078978596 u |
| Formula | C8H11NO2 |
| InChI | InChI=1S/C8H11NO2/c9-8-3-6(4-10)1-2-7(8)5-11/h1-3,10-11H,4-5,9H2 |
| InChIKey | QFZLASKKELYJOJ-UHFFFAOYSA-N |
| Molecular Weight | 153.181 g/mol |
| SMILES | C1(=C(C=CC(=C1)CO)CO)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946699 |