| SpectraBase Compound ID | BULhcr5ii8Q |
|---|---|
| InChI | InChI=1S/C10H12ClN/c1-3-4-8-5-6-9(11)7(2)10(8)12/h3,5-6H,1,4,12H2,2H3 |
| InChIKey | FWBKCBZAXXMUSG-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 | 9e1SxzofjeS |
|---|---|
| Name | 6-Allyl-3-chloro-2-methylaniline |
| 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/c1-3-4-8-5-6-9(11)7(2)10(8)12/h3,5-6H,1,4,12H2,2H3 |
| InChIKey | FWBKCBZAXXMUSG-UHFFFAOYSA-N |
| Molecular Weight | 181.666 g/mol |
| SMILES | C=1(C(=C(CC=C)C=CC1Cl)N)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.964982 |