| SpectraBase Compound ID | 1Ou3pnJzRPX |
|---|---|
| InChI | InChI=1S/C12H13BrO3/c13-11-6-2-1-5-10(11)12(14)16-8-9-4-3-7-15-9/h1-2,5-6,9H,3-4,7-8H2 |
| InChIKey | DVNYFHZGQUVXLP-UHFFFAOYSA-N |
| Mol Weight | 285.14 g/mol |
| Molecular Formula | C12H13BrO3 |
| Exact Mass | 284.004807 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 | H5FiG85r43p |
|---|---|
| Name | 2-Bromobenzoic acid, 2-tetrahydrofurylmethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.004807276 u |
| Formula | C12H13BrO3 |
| InChI | InChI=1S/C12H13BrO3/c13-11-6-2-1-5-10(11)12(14)16-8-9-4-3-7-15-9/h1-2,5-6,9H,3-4,7-8H2 |
| InChIKey | DVNYFHZGQUVXLP-UHFFFAOYSA-N |
| SMILES | C1OC(CC1)COC(C=1C(=CC=CC1)Br)=O |