| SpectraBase Compound ID | Ex4g4Nv3DzP |
|---|---|
| InChI | InChI=1S/C15H26BrNO2/c1-2-3-4-5-6-7-8-9-10-11-12-19-15(18)14(16)13-17/h14H,2-12H2,1H3 |
| InChIKey | RHLFKZKKOVYQHS-UHFFFAOYSA-N |
| Mol Weight | 332.28 g/mol |
| Molecular Formula | C15H26BrNO2 |
| Exact Mass | 331.114692 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Jt5uPgDnnvC |
|---|---|
| Name | Dodecyl bromocyanoacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.114692079 u |
| Formula | C15H26BrNO2 |
| InChI | InChI=1S/C15H26BrNO2/c1-2-3-4-5-6-7-8-9-10-11-12-19-15(18)14(16)13-17/h14H,2-12H2,1H3 |
| InChIKey | RHLFKZKKOVYQHS-UHFFFAOYSA-N |
| Molecular Weight | 332.282 g/mol |
| SMILES | C(C(C#N)Br)(=O)OCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.976804 |