| SpectraBase Compound ID | DG9N7G0dUBd |
|---|---|
| InChI | InChI=1S/C7H13BrO2/c1-10-6-4-2-3-5(9)7(6)8/h5-7,9H,2-4H2,1H3 |
| InChIKey | OOIWCEGFCZXSFP-UHFFFAOYSA-N |
| Mol Weight | 209.08 g/mol |
| Molecular Formula | C7H13BrO2 |
| Exact Mass | 208.009893 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6Bjlo6tWahn |
|---|---|
| Name | 2(E)-Bromo-3(E)-methoxy-1(A)-hydroxycyclohexane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.009892657 u |
| Formula | C7H13BrO2 |
| InChI | InChI=1S/C7H13BrO2/c1-10-6-4-2-3-5(9)7(6)8/h5-7,9H,2-4H2,1H3 |
| InChIKey | OOIWCEGFCZXSFP-UHFFFAOYSA-N |
| Molecular Weight | 209.083 g/mol |
| SMILES | C1(C(O)CCCC1OC)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.95992 |