| SpectraBase Compound ID | JRXOgMHw1bJ |
|---|---|
| InChI | InChI=1S/C14H21BrO2/c15-11-6-4-2-1-3-5-8-12-9-7-10-13(16)14(12)17/h7,9-10,16-17H,1-6,8,11H2 |
| InChIKey | VREYLPLKCUMUNL-UHFFFAOYSA-N |
| Mol Weight | 301.22 g/mol |
| Molecular Formula | C14H21BrO2 |
| Exact Mass | 300.072493 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 | 20jnaSRD022 |
|---|---|
| Name | 3-(8-Bromooctyl)catechol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.072492914 u |
| Formula | C14H21BrO2 |
| InChI | InChI=1S/C14H21BrO2/c15-11-6-4-2-1-3-5-8-12-9-7-10-13(16)14(12)17/h7,9-10,16-17H,1-6,8,11H2 |
| InChIKey | VREYLPLKCUMUNL-UHFFFAOYSA-N |
| Molecular Weight | 301.224 g/mol |
| SMILES | C=1(C(O)=CC=CC1CCCCCCCCBr)O |