| SpectraBase Compound ID | 8IYTUR5nW2w |
|---|---|
| InChI | InChI=1S/C11H13BrO/c1-3-10(12)11(13-2)9-7-5-4-6-8-9/h3-8,11H,1-2H3/b10-3+ |
| InChIKey | IELBWCQCDVOCTL-XCVCLJGOSA-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 | LknU65I5KwA |
|---|---|
| Name | (E)-2-Bromo-1-methoxy-1-phenylbut-2-ene |
| 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/c1-3-10(12)11(13-2)9-7-5-4-6-8-9/h3-8,11H,1-2H3/b10-3+ |
| InChIKey | IELBWCQCDVOCTL-XCVCLJGOSA-N |
| Molecular Weight | 241.128 g/mol |
| SMILES | C(\C(=C/C)Br)(C=1C=CC=CC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.966986 |