| SpectraBase Compound ID | HMvZNKyHG2u |
|---|---|
| InChI | InChI=1S/C10H10BrNO/c1-13-10-3-2-9(11)7-4-5-12-6-8(7)10/h2-3,6H,4-5H2,1H3 |
| InChIKey | SVNFURWVLWCMDJ-UHFFFAOYSA-N |
| Mol Weight | 240.1 g/mol |
| Molecular Formula | C10H10BrNO |
| Exact Mass | 238.994577 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8RbgC3dX6jW |
|---|---|
| Name | 5-Bromo-8-methoxy-3,4-dihydroisoquinoline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.994576945 u |
| Formula | C10H10BrNO |
| InChI | InChI=1S/C10H10BrNO/c1-13-10-3-2-9(11)7-4-5-12-6-8(7)10/h2-3,6H,4-5H2,1H3 |
| InChIKey | SVNFURWVLWCMDJ-UHFFFAOYSA-N |
| Molecular Weight | 240.100 g/mol |
| SMILES | C12=C(C(Br)=CC=C2OC)CCN=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.909168 |