| SpectraBase Compound ID | BsaZnXQLSou |
|---|---|
| InChI | InChI=1S/C3H6ClN/c4-2-1-3-5/h1-2H,3,5H2/b2-1+ |
| InChIKey | ZOGFQDXLOXDFHI-OWOJBTEDSA-N |
| Mol Weight | 91.54 g/mol |
| Molecular Formula | C3H6ClN |
| Exact Mass | 91.018877 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | L0BC1KYZFf |
|---|---|
| Name | (E)-3-Chloranylprop-2-en-1-amine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 91.018876897 u |
| Formula | C3H6ClN |
| InChI | InChI=1S/C3H6ClN/c4-2-1-3-5/h1-2H,3,5H2/b2-1+ |
| InChIKey | ZOGFQDXLOXDFHI-OWOJBTEDSA-N |
| SMILES | C(\C=C\Cl)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.983937 |