| SpectraBase Compound ID | GIkTBKeRMSd |
|---|---|
| InChI | InChI=1S/C12H11BrO2/c1-14-9-4-5-10-8(7-9)3-6-11(15-2)12(10)13/h3-7H,1-2H3 |
| InChIKey | ZEOWUHIABICBKW-UHFFFAOYSA-N |
| Mol Weight | 267.12 g/mol |
| Molecular Formula | C12H11BrO2 |
| Exact Mass | 265.994243 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ca3N1WXzbjP |
|---|---|
| Name | Naphthalene, 1-bromo-2,6-dimethoxy- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 265.994242592 u |
| Formula | C12H11BrO2 |
| InChI | InChI=1S/C12H11BrO2/c1-14-9-4-5-10-8(7-9)3-6-11(15-2)12(10)13/h3-7H,1-2H3 |
| InChIKey | ZEOWUHIABICBKW-UHFFFAOYSA-N |
| Molecular Weight | 267.122 g/mol |
| SMILES | C1(Br)=C2C(C=C(C=C2)OC)=CC=C1OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.928336 |