| SpectraBase Compound ID | HKMNcj77tmZ |
|---|---|
| InChI | InChI=1S/C12H14BrNO/c1-9(15)14-12(7-2-8-12)10-3-5-11(13)6-4-10/h3-6H,2,7-8H2,1H3,(H,14,15) |
| InChIKey | ARBAVTRYVLHXBH-UHFFFAOYSA-N |
| Mol Weight | 268.15 g/mol |
| Molecular Formula | C12H14BrNO |
| Exact Mass | 267.025877 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | tdS9K0J4ur |
|---|---|
| Name | 1-(4-Bromophenyl)cyclobutanamine, N-acetyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 267.025877074 u |
| Formula | C12H14BrNO |
| InChI | InChI=1S/C12H14BrNO/c1-9(15)14-12(7-2-8-12)10-3-5-11(13)6-4-10/h3-6H,2,7-8H2,1H3,(H,14,15) |
| InChIKey | ARBAVTRYVLHXBH-UHFFFAOYSA-N |
| SMILES | C1(Br)=CC=C(C=C1)C1(CCC1)NC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.933668 |