| SpectraBase Compound ID | 7DQZCgflESr |
|---|---|
| InChI | InChI=1S/C11H14BrNO/c1-11(2,3)10(14)13-9-7-5-4-6-8(9)12/h4-7H,1-3H3,(H,13,14) |
| InChIKey | KVXJJCVTWLZHOX-UHFFFAOYSA-N |
| Mol Weight | 256.14 g/mol |
| Molecular Formula | C11H14BrNO |
| Exact Mass | 255.025877 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | K4yoZcZIu7t |
|---|---|
| Name | Pivalamide, N-(2-bromophenyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.025877074 u |
| Formula | C11H14BrNO |
| InChI | InChI=1S/C11H14BrNO/c1-11(2,3)10(14)13-9-7-5-4-6-8(9)12/h4-7H,1-3H3,(H,13,14) |
| InChIKey | KVXJJCVTWLZHOX-UHFFFAOYSA-N |
| SMILES | C(C(=O)NC1=CC=CC=C1Br)(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947541 |