![Benzene, 1-bromo-2-[(3-methyl-2-butenyl)oxy]-](/api/spectrum/9J5XIHa5mMD/structure.png?h=300&w=458 "Benzene, 1-bromo-2-[(3-methyl-2-butenyl)oxy]-")
| SpectraBase Compound ID | 30O5grAV8e6 |
|---|---|
| InChI | InChI=1S/C11H13BrO/c1-9(2)7-8-13-11-6-4-3-5-10(11)12/h3-7H,8H2,1-2H3 |
| InChIKey | ISHABPIIYWSXNN-UHFFFAOYSA-N |
| Mol Weight | 241.13 g/mol |
| Molecular Formula | C11H13BrO |
| Exact Mass | 240.014978 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9J5XIHa5mMD |
|---|---|
| Name | Benzene, 1-bromo-2-[(3-methyl-2-butenyl)oxy]- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.014978038 u |
| Formula | C11H13BrO |
| InChI | InChI=1S/C11H13BrO/c1-9(2)7-8-13-11-6-4-3-5-10(11)12/h3-7H,8H2,1-2H3 |
| InChIKey | ISHABPIIYWSXNN-UHFFFAOYSA-N |
| Molecular Weight | 241.128 g/mol |
| SMILES | C=1(C(OCC=C(C)C)=CC=CC1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.964073 |