| SpectraBase Compound ID | 59qBzqIsctn |
|---|---|
| InChI | InChI=1S/C10H12ClN/c1-2-7-12-8-9-3-5-10(11)6-4-9/h2-6,12H,1,7-8H2 |
| InChIKey | MXLWFBBJEPONGS-UHFFFAOYSA-N |
| Mol Weight | 181.67 g/mol |
| Molecular Formula | C10H12ClN |
| Exact Mass | 181.065827 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ASATSFU69z |
|---|---|
| Name | N-Allyl-N-(4-chlorobenzyl)amine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.065827090 u |
| Formula | C10H12ClN |
| InChI | InChI=1S/C10H12ClN/c1-2-7-12-8-9-3-5-10(11)6-4-9/h2-6,12H,1,7-8H2 |
| InChIKey | MXLWFBBJEPONGS-UHFFFAOYSA-N |
| Molecular Weight | 181.666 g/mol |
| SMILES | C1(Cl)=CC=C(C=C1)CNCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.942227 |