| SpectraBase Compound ID | 5Gl4Hx0GC4S |
|---|---|
| InChI | InChI=1S/C10H10BrNO2/c11-9-5-3-8(4-6-9)2-1-7-14-10(12)13/h1-6H,7H2,(H2,12,13)/b2-1+ |
| InChIKey | YOOATUBMEGSMJT-OWOJBTEDSA-N |
| Mol Weight | 256.1 g/mol |
| Molecular Formula | C10H10BrNO2 |
| Exact Mass | 254.989492 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4HEFUxka3AH |
|---|---|
| Name | (E)-3-(4-Bromophenyl)allyl carbamate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.989491564 u |
| Formula | C10H10BrNO2 |
| InChI | InChI=1S/C10H10BrNO2/c11-9-5-3-8(4-6-9)2-1-7-14-10(12)13/h1-6H,7H2,(H2,12,13)/b2-1+ |
| InChIKey | YOOATUBMEGSMJT-OWOJBTEDSA-N |
| SMILES | C(=O)(N)OC\C=C\C1=CC=C(C=C1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.855247 |