SpectraBase Compound ID | 2NDQss0LkW7 |
---|---|
InChI | InChI=1S/C13H19BrO/c14-10-6-1-2-7-11-15-12-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2 |
InChIKey | UHDZRWPKYMHVNV-UHFFFAOYSA-N |
Mol Weight | 271.2 g/mol |
Molecular Formula | C13H19BrO |
Exact Mass | 270.061928 g/mol |
SpectraBase Spectrum ID | 8pdOVzXNSbM |
---|---|
Name | 6-Benzyloxyhexyl bromide |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 270.061928231 u |
Formula | C13H19BrO |
InChI | InChI=1S/C13H19BrO/c14-10-6-1-2-7-11-15-12-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2 |
InChIKey | UHDZRWPKYMHVNV-UHFFFAOYSA-N |
SMILES | C(CCCCCOCC=1C=CC=CC1)Br |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.931414 |