| SpectraBase Compound ID | 958lezSY2KA |
|---|---|
| InChI | InChI=1S/C9H11NO/c11-8-6-10-9(8)7-4-2-1-3-5-7/h1-5,8-11H,6H2 |
| InChIKey | DABKYHXVYXFLLS-UHFFFAOYSA-N |
| Mol Weight | 149.19 g/mol |
| Molecular Formula | C9H11NO |
| Exact Mass | 149.084064 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GsPSwiAqqxj |
|---|---|
| Name | 2-Phenyl-3-azetidinol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 149.084063977 u |
| Formula | C9H11NO |
| InChI | InChI=1S/C9H11NO/c11-8-6-10-9(8)7-4-2-1-3-5-7/h1-5,8-11H,6H2 |
| InChIKey | DABKYHXVYXFLLS-UHFFFAOYSA-N |
| Molecular Weight | 149.193 g/mol |
| SMILES | C1(NCC1O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.953014 |