SpectraBase Compound ID | K5Ib2kJF7pQ |
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InChI | InChI=1S/C5H11N/c1-2-3-4-5-6/h2-3H,4-6H2,1H3/b3-2+ |
InChIKey | VWJYDONMXDIHNY-NSCUHMNNSA-N |
Mol Weight | 85.15 g/mol |
Molecular Formula | C5H11N |
Exact Mass | 85.089149 g/mol |
SpectraBase Spectrum ID | 7RhWOCYVpdn |
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Name | Pent-3-enylamine |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 85.089149358 u |
Formula | C5H11N |
InChI | InChI=1S/C5H11N/c1-2-3-4-5-6/h2-3H,4-6H2,1H3/b3-2+ |
InChIKey | VWJYDONMXDIHNY-NSCUHMNNSA-N |
Molecular Weight | 85.150 g/mol |
SMILES | C\C=C\CCN |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.996398 |