| SpectraBase Compound ID | Bzh9S3mHb2L |
|---|---|
| InChI | InChI=1S/C9H12BrN/c1-6(2)7-3-4-9(11)8(10)5-7/h3-6H,11H2,1-2H3 |
| InChIKey | WEMDUNBELVTSRP-UHFFFAOYSA-N |
| Mol Weight | 214.11 g/mol |
| Molecular Formula | C9H12BrN |
| Exact Mass | 213.015312 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7EzyVotbNE4 |
|---|---|
| Name | 2-Bromo-4-isopropylaniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 213.015312390 u |
| Formula | C9H12BrN |
| InChI | InChI=1S/C9H12BrN/c1-6(2)7-3-4-9(11)8(10)5-7/h3-6H,11H2,1-2H3 |
| InChIKey | WEMDUNBELVTSRP-UHFFFAOYSA-N |
| Molecular Weight | 214.106 g/mol |
| SMILES | C1=C(C(=CC(=C1)C(C)C)Br)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.916226 |