| SpectraBase Compound ID | IW5hfPr9VVc |
|---|---|
| InChI | InChI=1S/C12H23N/c1-2-3-4-5-6-7-9-12-10-8-11-13-12/h2-11H2,1H3 |
| InChIKey | VBAKBQIFLQTHMH-UHFFFAOYSA-N |
| Mol Weight | 181.32 g/mol |
| Molecular Formula | C12H23N |
| Exact Mass | 181.18305 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ITIz4eCjPcB |
|---|---|
| Name | 2-Octyl-1-pyrroline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.183049745 u |
| Formula | C12H23N |
| InChI | InChI=1S/C12H23N/c1-2-3-4-5-6-7-9-12-10-8-11-13-12/h2-11H2,1H3 |
| InChIKey | VBAKBQIFLQTHMH-UHFFFAOYSA-N |
| Molecular Weight | 181.323 g/mol |
| SMILES | C1(=NCCC1)CCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.936111 |