| SpectraBase Compound ID | F50hNU36Wo8 |
|---|---|
| InChI | InChI=1S/C11H12BrNO/c1-8(2)7-13-11(14)9-4-3-5-10(12)6-9/h3-6H,1,7H2,2H3,(H,13,14) |
| InChIKey | DFBYIEGRYVKAOC-UHFFFAOYSA-N |
| Mol Weight | 254.13 g/mol |
| Molecular Formula | C11H12BrNO |
| Exact Mass | 253.010227 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BvEjLYIMLXZ |
|---|---|
| Name | Benzamide, 3-bromo-N-methallyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.010227009 u |
| Formula | C11H12BrNO |
| InChI | InChI=1S/C11H12BrNO/c1-8(2)7-13-11(14)9-4-3-5-10(12)6-9/h3-6H,1,7H2,2H3,(H,13,14) |
| InChIKey | DFBYIEGRYVKAOC-UHFFFAOYSA-N |
| Molecular Weight | 254.127 g/mol |
| SMILES | C(C1=CC(=CC=C1)Br)(=O)NCC(=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.903204 |