| SpectraBase Compound ID | L6ii36W0sJg |
|---|---|
| InChI | InChI=1S/C16H25N/c1-3-4-10-17-13(2)11-14-8-9-15-6-5-7-16(15)12-14/h8-9,12-13,17H,3-7,10-11H2,1-2H3 |
| InChIKey | HDBLQOQMYZTDPT-UHFFFAOYSA-N |
| Mol Weight | 231.38 g/mol |
| Molecular Formula | C16H25N |
| Exact Mass | 231.1987 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4bEa6QxRPDq |
|---|---|
| Name | 5-Apdi bu |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.198699809 u |
| Formula | C16H25N |
| InChI | InChI=1S/C16H25N/c1-3-4-10-17-13(2)11-14-8-9-15-6-5-7-16(15)12-14/h8-9,12-13,17H,3-7,10-11H2,1-2H3 |
| InChIKey | HDBLQOQMYZTDPT-UHFFFAOYSA-N |
| Molecular Weight | 231.383 g/mol |
| SMILES | C1=2C(=CC(CC(NCCCC)C)=CC2)CCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.84511 |