| SpectraBase Compound ID | 2JEMHkE3WNg |
|---|---|
| InChI | InChI=1S/C12H18ClN/c1-10(2)7-8-14-9-11-3-5-12(13)6-4-11/h3-6,10,14H,7-9H2,1-2H3 |
| InChIKey | YTSZEZXZGNXLGI-UHFFFAOYSA-N |
| Mol Weight | 211.74 g/mol |
| Molecular Formula | C12H18ClN |
| Exact Mass | 211.112777 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8PChq6P5mk7 |
|---|---|
| Name | N-Isopentyl-4-chlorobenzylamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.112777284 u |
| Formula | C12H18ClN |
| InChI | InChI=1S/C12H18ClN/c1-10(2)7-8-14-9-11-3-5-12(13)6-4-11/h3-6,10,14H,7-9H2,1-2H3 |
| InChIKey | YTSZEZXZGNXLGI-UHFFFAOYSA-N |
| Molecular Weight | 211.736 g/mol |
| SMILES | C1(CNCCC(C)C)=CC=C(C=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.802751 |