| SpectraBase Spectrum ID |
4HLSo0Knqri |
| Name |
1-(2'-Bromoethyl)-1,2,3,4-tetrahydro-7-methoxynaphthalene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
268.046278166 u |
| Formula |
C13H17BrO |
| InChI |
InChI=1S/C13H17BrO/c1-15-12-6-5-10-3-2-4-11(7-8-14)13(10)9-12/h5-6,9,11H,2-4,7-8H2,1H3 |
| InChIKey |
NHTQFCUKKNIZTO-UHFFFAOYSA-N |
| Molecular Weight |
269.182 g/mol |
| SMILES |
C12=C(C=CC(=C2)OC)CCCC1CCBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.879329 |