![[(N-1-Chloroprop-2-en-2-yl)aminomethyl]benzene](/api/spectrum/Al7c4YcBHVx/structure.png?h=300&w=458 "[(N-1-Chloroprop-2-en-2-yl)aminomethyl]benzene")
| SpectraBase Compound ID | Lba8gDVIR2e |
|---|---|
| InChI | InChI=1S/C10H12ClN/c1-9(7-11)12-8-10-5-3-2-4-6-10/h2-6,12H,1,7-8H2 |
| InChIKey | VXJXHBJCQYRNCN-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 | Al7c4YcBHVx |
|---|---|
| Name | [(N-1-Chloroprop-2-en-2-yl)aminomethyl]benzene |
| 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/c1-9(7-11)12-8-10-5-3-2-4-6-10/h2-6,12H,1,7-8H2 |
| InChIKey | VXJXHBJCQYRNCN-UHFFFAOYSA-N |
| Molecular Weight | 181.666 g/mol |
| SMILES | C(NCC=1C=CC=CC1)(=C)CCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971388 |