| SpectraBase Compound ID | Dk2tUBqBbAS |
|---|---|
| InChI | InChI=1S/C19H19BrO3/c20-12-5-1-2-6-13-22-16-10-7-11-17-18(16)19(21)14-8-3-4-9-15(14)23-17/h3-4,7-11H,1-2,5-6,12-13H2 |
| InChIKey | KZMDDVPKRRQJCG-UHFFFAOYSA-N |
| Mol Weight | 375.26 g/mol |
| Molecular Formula | C19H19BrO3 |
| Exact Mass | 374.051757 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 56MOOUdaAkV |
|---|---|
| Name | 1-(6-Bromohexyloxy)-9H-xanthen-9-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 374.051757469 u |
| Formula | C19H19BrO3 |
| InChI | InChI=1S/C19H19BrO3/c20-12-5-1-2-6-13-22-16-10-7-11-17-18(16)19(21)14-8-3-4-9-15(14)23-17/h3-4,7-11H,1-2,5-6,12-13H2 |
| InChIKey | KZMDDVPKRRQJCG-UHFFFAOYSA-N |
| Molecular Weight | 375.262 g/mol |
| SMILES | C1(C2=C(C=CC=C2OCCCCCCBr)OC=2C1=CC=CC2)=O |