| SpectraBase Compound ID | LWcznX59gAR |
|---|---|
| InChI | InChI=1S/C12H17N/c1-2-3-7-10-13-11-12-8-5-4-6-9-12/h2,4-6,8-9,13H,1,3,7,10-11H2 |
| InChIKey | LSIHVRMYKSMLRY-UHFFFAOYSA-N |
| Mol Weight | 175.27 g/mol |
| Molecular Formula | C12H17N |
| Exact Mass | 175.1361 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CQDDKk1jp3f |
|---|---|
| Name | Benzenemethanamine, N-4-pentenyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 175.136099551 u |
| Formula | C12H17N |
| InChI | InChI=1S/C12H17N/c1-2-3-7-10-13-11-12-8-5-4-6-9-12/h2,4-6,8-9,13H,1,3,7,10-11H2 |
| InChIKey | LSIHVRMYKSMLRY-UHFFFAOYSA-N |
| Molecular Weight | 175.275 g/mol |
| SMILES | C(=C)CCCNCC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.990583 |