| SpectraBase Compound ID | FjIHVyy4tWC |
|---|---|
| InChI | InChI=1S/C11H15BrO2/c1-5-14-10(13)9(12)7-6-8-11(2,3)4/h7H,5H2,1-4H3/b9-7- |
| InChIKey | HJKOXVMHLRYJBF-CLFYSBASSA-N |
| Mol Weight | 259.14 g/mol |
| Molecular Formula | C11H15BrO2 |
| Exact Mass | 258.025543 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1mVlokN6Y2C |
|---|---|
| Name | (Z)-Ethyl 2-bromo-6,6-dimethylhept-2-en-4-ynoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.025542721 u |
| Formula | C11H15BrO2 |
| InChI | InChI=1S/C11H15BrO2/c1-5-14-10(13)9(12)7-6-8-11(2,3)4/h7H,5H2,1-4H3/b9-7- |
| InChIKey | HJKOXVMHLRYJBF-CLFYSBASSA-N |
| SMILES | C(#CC(C)(C)C)\C=C\(C(=O)OCC)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.914543 |