![5-[(Z)-2-bromanylethenyl]-1,2,3-trimethoxy-benzene](/api/spectrum/5PaGkRPTj7r/structure.png?h=300&w=458 "5-[(Z)-2-bromanylethenyl]-1,2,3-trimethoxy-benzene")
| SpectraBase Compound ID | KoYPeydbDp3 |
|---|---|
| InChI | InChI=1S/C11H13BrO3/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h4-7H,1-3H3/b5-4- |
| InChIKey | XLIQGJZAJWINPR-PLNGDYQASA-N |
| Mol Weight | 273.13 g/mol |
| Molecular Formula | C11H13BrO3 |
| Exact Mass | 272.004807 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5PaGkRPTj7r |
|---|---|
| Name | 5-[(Z)-2-Bromanylethenyl]-1,2,3-trimethoxy-benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.004807276 u |
| Formula | C11H13BrO3 |
| InChI | InChI=1S/C11H13BrO3/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h4-7H,1-3H3/b5-4- |
| InChIKey | XLIQGJZAJWINPR-PLNGDYQASA-N |
| SMILES | C=1(C(=CC(=CC1OC)\C=C/Br)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.953321 |