| SpectraBase Compound ID | KMS9UTZrwbe |
|---|---|
| InChI | InChI=1S/C13H21N/c1-11(2)9-10-14-12(3)13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3 |
| InChIKey | KZQFBOGEIFSQTQ-UHFFFAOYSA-N |
| Mol Weight | 191.32 g/mol |
| Molecular Formula | C13H21N |
| Exact Mass | 191.1674 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BYQb7ro6vvH |
|---|---|
| Name | N-iso-Amyl-1-phenethylamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.167399680 u |
| Formula | C13H21N |
| InChI | InChI=1S/C13H21N/c1-11(2)9-10-14-12(3)13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3 |
| InChIKey | KZQFBOGEIFSQTQ-UHFFFAOYSA-N |
| Molecular Weight | 191.318 g/mol |
| SMILES | C(C=1C=CC=CC1)(NCCC(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.980725 |