| SpectraBase Compound ID | 9C0IeOaaOlr |
|---|---|
| InChI | InChI=1S/C10H10BrNO/c1-2-7-12-10(13)8-3-5-9(11)6-4-8/h2-6H,1,7H2,(H,12,13) |
| InChIKey | XOHUAIMGZRBRAG-UHFFFAOYSA-N |
| Mol Weight | 240.1 g/mol |
| Molecular Formula | C10H10BrNO |
| Exact Mass | 238.994577 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JRuHoavjmQp |
|---|---|
| Name | Benzamide, 4-bromo-N-allyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.994576945 u |
| Formula | C10H10BrNO |
| InChI | InChI=1S/C10H10BrNO/c1-2-7-12-10(13)8-3-5-9(11)6-4-8/h2-6H,1,7H2,(H,12,13) |
| InChIKey | XOHUAIMGZRBRAG-UHFFFAOYSA-N |
| Molecular Weight | 240.100 g/mol |
| SMILES | C1=CC(=CC=C1C(=O)NCC=C)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.910969 |